5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol

(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

Also Known As: 5beta-Bufol|5 beta-bufol|5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol|Cholestane-3,7,12,25,26-pentol|Coprostan-3,7,12,25,26-pentaol|5b-Cholestane-3a,7a,12a,25,26-pentol|(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|5beta-Cholestane-3alpha,7alpha,12alpha,25,27-pentol|5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentaol|3alpha,7alpha,12alpha,25,27-pentahydroxy-5beta-cholestane|Cholestane-3,7,12,25,26-pentol, (3a,5b,7a,12a)-|Cholestane-3,7,12,25,26-pentol, (3alpha,5beta,7alpha,12alpha)- (VAN)|"(3R,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol"|(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol|(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol

Molecular Formula	C27H48O5
Molecular Weight	452.3502 g/mol
LogP	3.4975
Topological Polar Surface Area	101.15 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	452.3502
Monoisotopic Mass	452.3502
Heavy Atoms	32
Complexity	666.4321

Chemical Identifiers

CAS Number	6127-75-9
SMILES	C[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