Steviol - ≥96% , CAS No.471-80-7

CAS: 471-80-7 Cat. No.: S138883 Fórmula: C₂₀H₃₀O₃ Peso molecular: 318.5 PubChem CID: 452967

GRADE & PURITY ≥96%

Synonyms

Kaur-16-en-18-oic acid, 13-hydroxy-, (14-alpha)- | (4R)-13-Hydroxykaur-16-en-18-oic acid | J-525016 | 4741LYX6RT | SDCCGSBI-0633785.P001 | Q426852 | NCGC00186036-01 | 13-Hydroxykaurenoic acid | ent-13-Hydroxy-kauran-16-en-19-oic acid | BDBM50480263 | SCHE

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Kaur-16-en-18-oic acid, 13-hydroxy-, (14-alpha)- | (4R)-13-Hydroxykaur-16-en-18-oic acid | J-525016 | 4741LYX6RT | SDCCGSBI-0633785.P001 | Q426852 | NCGC00186036-01 | 13-Hydroxykaurenoic acid | ent-13-Hydroxy-kauran-16-en-19-oic acid | BDBM50480263 | SCHE

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 504758893
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758893
• Sorrisos canónicos: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)O
• IUPAC Name: (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
• InChIKey: QFVOYBUQQBFCRH-VQSWZGCSSA-N
• INCHI: 1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
• SMILES isoméricas: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O
• PubChem CID: 452967
• Peso molecular: 318.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Kaurane diterpenoids
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Kaurane diterpenoid - Tertiary alcohol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
• External Descriptors: Not available

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

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Huh-7 (12904 Activities)

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MCF7 (126967 Activities)

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Raji (5516 Activities)

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A549 (127892 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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Alvos associados (não humanos)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Saccharomyces cerevisiae (19171 Activities)

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Mus musculus (284745 Activities)

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Calf thymus DNA (4845 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO: >10 mg/mL
• Sensibilidade: light sensitive
• Peso molecular: 318.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 318.219 Da
• Monoisotopic Mass: 318.219 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 583.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 471-80-7, the molecular formula is C20H30O3, and the molecular weight is 318.5 g/mol. InChIKey QFVOYBUQQBFCRH-VQSWZGCSSA-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.