Taraxasterol - Moligand™, ≥97% , CAS No.1059-14-9

CAS: 1059-14-9 Cat. No.: T299477 Summenformel: C₃₀H₅₀O Molekulargewicht: 426.73 PubChem CID: 115250

GRADE & PURITY Moligand™, ≥97%

Synonyms

LMPR0106180006 | (3.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL | EN300-122379 | EX-A8003F | 2-METHYL-5-(MORPHOLINOSULFONYL)-3-FUROICACID | 64SK2ERN9P | AKOS016009424 | CHEBI:9401 | taraxasterin | taraxast-20(30)-en-3beta-ol | (3S,4aR,6aR,6aR,6bR,8aR,12

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

LMPR0106180006 | (3.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL | EN300-122379 | EX-A8003F | 2-METHYL-5-(MORPHOLINOSULFONYL)-3-FUROICACID | 64SK2ERN9P | AKOS016009424 | CHEBI:9401 | taraxasterin | taraxast-20(30)-en-3beta-ol | (3S,4aR,6aR,6aR,6bR,8aR,12

Spezifikationen & Reinheit

Moligand™, ≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504756745
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756745
• Kanonisches Lächeln: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
• IUPAC Name: (3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
• InChIKey: XWMMEBCFHUKHEX-ZJJHUPNDSA-N
• INCHI: 1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)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-/m1/s1
• Isomere SMILES: C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C
• PubChem CID: 115250
• Molekulargewicht: 426.73

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Ethanol : 5.5 mg/mL (12.89 mM; ultrasonic and warming and heat to 50°C) DMSO : 1 mg/mL (2.34 mM; ultrasonic and heat to 80°C)
• Empfindlichkeit: light sensitive
• Molekulargewicht: 426.700 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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