Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-

[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Also Known As: 17-Hydroxypregnenolone sulfate|17alpha-Hydroxypregnenolone sulfate|17-hydroxypregnenolonesulfate|17-hydroxypregnenolone sulphate|17-Hydroxy-pregnenolone sulfate|17-Hydroxy-pregnenolone sulphate|17-Hydroxypregnenolone 3-sulfate|17-Hydroxypregnenolone 3-sulphate|17b-Hydroxypregnenolone 3-sulfate|17b-Hydroxypregnenolone 3-sulphate|17alpha-hydroxypregnenolone sulphate|17 alpha-hydroxypregnenolone sulfate|17-hydroxy-20-oxopregn-5-en-3-yl hydrogen sulfate|-17-acetyl-17-hydroxy-10,13-dimethyl-3-sulfooxy-1|Pregn-5-en-20-one, 3,17-dihydroxy-, mono(hydrogen sulfate), (3beta)-|[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate|((8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-3-yl) hydrogen sulfate|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene

Molecular Formula	C21H32O6S
Molecular Weight	412.19196 g/mol
LogP	2.5
Topological Polar Surface Area	109.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	412.19196
Monoisotopic Mass	412.19196
Heavy Atoms	28
Complexity	813.0

Chemical Identifiers

CAS Number	2477-77-2
SMILES	CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C)O
InChIKey	OMOKWYAQVYBHMG-QUPIPBJSSA-N