(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al

(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal

Also Known As: 3,7,12-Trihydroxycholestan-26-al|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al|3a,7a,12a-Trihydroxy-5b-cholestan-26-al|J2.732.427D|(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al|3alpha,7-alpha,12alpha-Trihydroxy-5beta-cholestan-26-al|3 alpha,7-alpha,12 alpha-trihydroxy-5 beta-cholestan-26-al|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane-26-al|(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal|3-alpha-7-alpha-12-alpha-trihydroxy-5-beta-cholestan-26-al|Cholestan-26-al, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-|Cholestan-26-al,3,7,12-trihydroxy-, (3a,5b,7a,12a)- (9CI)|(6R)-2-Methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)heptanal|(6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptanal|-2-methyl-6-[ -3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanal

Molecular Formula	C27H46O4
Molecular Weight	434.3396 g/mol
LogP	5.2
Topological Polar Surface Area	77.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	434.3396
Monoisotopic Mass	434.3396
Heavy Atoms	31
Complexity	651.0

Chemical Identifiers

CAS Number	3836-01-9
SMILES	C[C@H](CCCC(C)C=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
InChIKey	USFJGINJGUIFSY-XZULNKEGSA-N