3-Admao

[(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylidene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Also Known As: 3-Admao|KST-1A8792|3beta-Acetoxy-5,6beta-dichloromethylene-5beta-androstan-17-one|5,6-Dichloro-2-methylidene-17-oxoandrostan-3-yl acetate|(3|A,5|A,6|A)-5,6-dichloro-2-methylidene-17-oxoandrostan-3-yl acetate|[(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylidene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate|5,6beta-Dichloro-2-methylidene-17-oxo-5beta-androstan-3beta-yl acetate|Cycloprop(5,6)androstan-17-one, 3-(acetyloxy)-3',3'-dichloro-3',6-dihydro-, (3beta,5R,6alpha)-

Molecular Formula	C22H30Cl2O3
Molecular Weight	412.1572 g/mol
LogP	4.4
Topological Polar Surface Area	43.4 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	412.1572
Monoisotopic Mass	412.1572
Heavy Atoms	27
Complexity	706.0

Chemical Identifiers

CAS Number	9017-68-9
SMILES	CC(=O)O[C@@H]1C[C@]2([C@@H](C[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1=C)C)C)Cl)Cl
InChIKey	FJPIHKZAAPQDLP-RLEXBPSYSA-N