AC1L4G90

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-(diethylamino)-4-oxobutanoate

Also Known As: Pregn-4-ene-3,20-dione, 21-(4-(diethylamino)-1,4-dioxobutoxy)-11,17-dihydroxy-, (11beta)-|11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-(diethylamino)-4-oxobutanoate|11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 4-(diethylamino)-4-oxobutanoate|5-Thiazoleacetic acid, 2-(o-chlorobenzylamino)-4-(p-chlorophenyl)-, methyl ester|[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-(diethylamino)-4-oxobutanoate

Molecular Formula	C29H43NO7
Molecular Weight	517.30396 g/mol
LogP	2.4
Topological Polar Surface Area	121.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	517.30396
Monoisotopic Mass	517.30396
Heavy Atoms	37
Complexity	987.0

Chemical Identifiers

CAS Number	74253-49-9
SMILES	CCN(CC)C(=O)CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
InChIKey	SEVVZFIPZIKVCU-MWRQVSSFSA-N