19-Hydroxypregnenolone 3-acetate

[(3S,8S,9S,10S,13S,14S,17S)-17-acetyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Also Known As: 19-Hydroxypregnenolone 3-acetate|KST-1A3753|3-(Acetyloxy)-19-hydroxypregn-5-en-20-one|19-Hydroxy-20-oxopregn-5-en-3-yl acetate|3beta-acetoxy-19-hydroxy-5-pregnen-20-one|J2.028.853A|(3|A)-19-hydroxy-20-oxopregn-5-en-3-yl acetate|19-Hydroxy-20-oxopregn-5-en-3beta-yl acetate|3beta-Acetoxy-19-hydroxypregna-5-ene-20-one|19-Hydroxy-20-oxopregna-5-ene-3beta-ol 3-acetate|3beta-Acetoxy-19-hydroxy-Delta^5^-pregnen-20-one|[(3S,8S,9S,10S,13S,14S,17S)-17-acetyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|(1S,3aS,3bS,7S,9aS,9bS,11aS)-1-acetyl-9a-(hydroxymethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate

Molecular Formula	C23H34O4
Molecular Weight	374.2457 g/mol
LogP	3.6
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	374.2457
Monoisotopic Mass	374.2457
Heavy Atoms	27
Complexity	667.0

Chemical Identifiers

CAS Number	26360-40-7
SMILES	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)CO)C
InChIKey	CMXIOZFFEJJBQE-XCXHLKQJSA-N