Lupeol - ≥95% , CAS No.545-47-1

CAS: 545-47-1 Cat. No.: L131628 Fórmula: C₃₀H₅₀O Peso molecular: 426.72 Número CE: 208-889-9

GRAU & PUREZA ≥95%

Synonyms

Monogynol B|Lup-20(29)-en-3b-ol|Triterpene lupeol|beta-Viscol|(3-.BETA.)-LUP-20(29)-EN-3-OL|Brimexate|Fagarsterol|(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol|(3-beta)-Lup-20(29)-en-3-ol|(3beta)-lup-20(29)-en-3-ol|I)-Lup-20(29)-en-3-ol|3beta-HYDROXYLUP-20(29)-ENE|Lup-20(29)-en-3-ol|(+)-Lupeol|Clerodol|Lup-20(29)-en-3-beta-ol|Lup-20(29)-en-3beta-ol|Lupeol|3beta-lup-20(29)-en-3-ol|farganasterol|LUP-20(29)-EN-3-OL, (3-.BETA.)-|Lup-20(29)-en-3-ol, (3.beta.)-|Lup-20(29)-en-3-ol, (3-beta)-|Lup-20(29)-en-3-ol, (3beta)-|UREA, N-(1-METHYL-1H-INDOL-5-YL)-N-3-PYRIDINYL-|Fagarasterol|.beta.-Viscol|LUPEOL, (+)-|20(29)-Lupen-3beta-ol|LUPEOL [HSDB]|Octanamide, 3-oxo-N-(tetrahydro-2-oxo-3-furanyl)-, (S)-|(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol|LUP-20(29)-EN-3-.BETA.-OL|Lup-20(29)-en-3.beta.-ol|Lup-20(29)-en-3-ol, (3b)-|3.BETA.-HYDROXYLUP-20(29)-ENE|LUPEOL [INCI]|LUPEOL [MI]

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

Monogynol B | Lup-20(29)-en-3b-ol | Triterpene lupeol | beta-Viscol | (3-.BETA.)-LUP-20(29)-EN-3-OL | Brimexate | Fagarsterol | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol | (3-beta)-Lup-20(29)-en-3-ol | (3beta)-l Show more

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504758184

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758184

Sorrisos canónicos

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C

IUPAC Name

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

InChIKey

MQYXUWHLBZFQQO-QGTGJCAVSA-N

INCHI

1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

SMILES isoméricas

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C

WGK Alemanha

2

RTECS

OK5763000

Peso molecular

426.72

Reaxy-Rn

2063484

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2063484&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Steroids and steroid derivatives Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Baccharane triterpenoids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

CES1 Tchem Liver carboxylesterase 1 (1 Activities)

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PTPN1 Tchem Tyrosine-protein phosphatase non-receptor type 1 (1 Activities)

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TOP1 Tclin DNA topoisomerase I (7553 Activities)

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TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

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CES2 Tchem Carboxylesterase 2 (583 Activities)

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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Calu-1 (518 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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Raji (5516 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL (619 Activities)

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SK-MEL-1 (285 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SW1353 (113 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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WISH (126 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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Alvos associados (não humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Cryz Quinone oxidoreductase (288 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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Salmonella (646 Activities)

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Bacillus pumilus (984 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium avium (4587 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Enterococcus faecalis (29875 Activities)

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Bacillus cereus (7522 Activities)

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Priestia megaterium (1154 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Trichomonas vaginalis (2376 Activities)

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Drosophila melanogaster (359 Activities)

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Caenorhabditis elegans (1055 Activities)

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Haemonchus contortus (724 Activities)

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Trichostrongylus colubriformis (210 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Staphylococcus saprophyticus (562 Activities)

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B16 (5829 Activities)

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LLC-PK1 (2135 Activities)

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RAW264.7 (28094 Activities)

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Vero (26788 Activities)

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BV-2 (3710 Activities)

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L6 (7924 Activities)

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J774 (3120 Activities)

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Syrian golden hamster (1610 Activities)

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Rela Transcription factor p65 (175 Activities)

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dengue virus type 2 (2400 Activities)

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Phytophthora cactorum (113 Activities)

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Nfkbia NF-kappa-B inhibitor alpha (54 Activities)

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MC3T3-E1 (421 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Very soluble in Ethanol,Acetone,Chloroform; Soluble in Ether,Benzene
• Sensibilidade: Heat Sensitive
• Ponto de fusão (°C): 210 °C
• Peso molecular: 426.700 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 426.386 Da
• Monoisotopic Mass: 426.386 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 766.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 545-47-1, the molecular formula is C30H50O, and the molecular weight is 426.72 g/mol. InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.