Products 6127-75-9

CAS 6127-75-9 is the registry number for 5beta-Cholestane-3alpha,7alpha,12alpha,25,27-pentol. Offered by: TRC. Available pack sizes: 10mg.

5beta-Cholestane-3alpha,7alpha,12alpha,25,27-pentol
TRC
  • size: 10mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

5beta-bufol is the 5beta-stereoisomer of bufol. It has a role as an animal metabolite and a human urinary metabolite.

Source: ChEBI

Identity
Molecular formulaC27H48O5
Molecular weight452.7 g/mol
IUPAC name(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-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-3,7,12-triol
InChIKeyXZDHXPDYLPEFQI-FIMPYCPFSA-N
SMILESC[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol, 5beta-Bufol, Cholestane-3,7,12,25,26-pentol, 5b-Cholestane-3a,7a,12a,25,26-pentol, Cholestane-3,7,12,25,26-pentol, (3alpha,5beta,7alpha,12alpha)- (VAN), 5 beta-bufol, 5beta-Cholestane-3alpha,7alpha,12alpha,25,27-pentol, 3alpha,7alpha,12alpha,25,27-pentahydroxy-5beta-cholestane
Isomers (same molecular formula)
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4R)-4,6-dihydroxy-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-3,7,12-triol C27H48O5
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-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-3,7,12-triol C27H48O5