pregnanediol structure

pregnanediol

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

Also Known As: pregnanediol|Pregnane-3,3-diol|Pregnanediol (VAN)|(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol

CAS: 26445-07-8
Molecular Formula C21H36O2
Molecular Weight 320.27155 g/mol
LogP 4.7362
Topological Polar Surface Area 40.46 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
Rotatable Bonds 1
Exact Mass 320.27155
Monoisotopic Mass 320.27155
Heavy Atoms 23
Complexity 472.46204

Chemical Identifiers

CAS Number 26445-07-8
SMILES CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C

Product Overview

pregnanediol (CAS 26445-07-8), with molecular formula C21H36O2 and molecular weight 320.27155 g/mol. IUPAC: (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol.

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