Pregnanetriol

(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

Also Known As: PREGNANETRIOL|PREGNANTRIOL|5Beta-pregnane-3alpha,17alpha,20alpha-triol|5-Pregnane-3,17,20-triol|EINECS 214-148-0|5-beta-Pregnane-3,17,20-triol|HY-N11224|A-Pregnane-3|A,17,20|A-triol|NCGC00247055-01|(20S)-5beta-Pregnane-3alpha,17,20-triol|A-Pregnane-3|A,17|A,20|A-triol|A,17|A,20|A-Trihydroxy-5|A-pregnane|5beta-pregnane-3alpha,17alpha,20beta-triol|5-beta-Pregnane-3-alpha,17-alpha,20-alpha-triol|Pregnane-3,17,20-triol, (3.alpha.,5.beta.,20S)-|Pregnane-3,17,20-triol, (3alpha,5beta,20S)-|(3|A,5|A,20S)-Pregnane-3,17,20-triol|(3alpha,5beta,20S)-pregnane-3,17,20-triol|3,17,20-Trihydroxy-5-pregnane, Pregnanetriol|(20S)-5beta-Pregnane-3alpha,17alpha,20-triol|3alpha,17alpha,20alpha-Trihydroxy-5beta-pregnane|5.beta.-pregnane-3.alpha.,17.alpha.,20.alpha.-triol

Molecular Formula	C21H36O3
Molecular Weight	336.26645 g/mol
LogP	3.5
Topological Polar Surface Area	60.69 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	336.26645
Heavy Atoms	24
Complexity	505.3

Chemical Identifiers

CAS Number	1098-45-9
SMILES	C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O