Anhydroscymnol

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-[(2R)-3-(hydroxymethyl)oxetan-2-yl]butan-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: Anhydroscymnol|24,26-Epoxy-5beta-cholestane-3alpha,7alpha,12alpha,27-tetrol|(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-[(2R)-3-(hydroxymethyl)oxetan-2-yl]butan-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|24,26-epoxy-5 beta-cholestane-3 alpha,7 alpha,12 alpha,27-tetrol|Cholestane-3,7,12,26-tetrol, 24,27-epoxy-, (3alpha,5beta,7alpha,12alpha,24R)-|(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R)-4-((2R)-3-(hydroxymethyl)oxetan-2-yl)butan-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

Molecular Formula	C27H46O5
Molecular Weight	450.33453 g/mol
LogP	3.3714
Topological Polar Surface Area	90.15 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	450.33453
Monoisotopic Mass	450.33453
Heavy Atoms	32
Complexity	682.9579

Chemical Identifiers

CAS Number	567-68-0
SMILES	C[C@H](CC[C@@H]1C(CO1)CO)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C