Products 79254-30-1

CAS 79254-30-1 is the registry number for 5beta-Cholestane-3beta,5,6beta-triol. Offered by: TRC. Available pack sizes: 100mg.

5beta-Cholestane-3beta,5,6beta-triol
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(3S,5S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol (CAS 79254-30-1) is a chemical compound with the molecular formula C27H48O3 and a molecular weight of 420.7 g/mol. IUPAC name: (3S,5S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol. InChIKey: YMMFNKXZULYSOQ-DTLXENBRSA-N.

Identity
Molecular formulaC27H48O3
Molecular weight420.7 g/mol
IUPAC name(3S,5S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
InChIKeyYMMFNKXZULYSOQ-DTLXENBRSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: 5beta-Cholestane-3beta,5,6beta-triol, cholestane-3b,5b,6b-triol, 5 beta-Cholestane-3 beta,5,6 beta-triol
Related forms of this compound
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol C27H48O3
(3S,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol C27H48O3
Isomers (same molecular formula)
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H48O3
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H48O3