CTK4G8760

2-hydroxy-2-[(8S,9S,10R,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde

Also Known As: Pregna-4,17(20)-dien-21-al,11,20-dihydroxy-3-oxo-, (11b)- (9CI)|2-Hydroxy-2-[(8S,9S,10R,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde

Molecular Formula	C21H28O4
Molecular Weight	344.19876 g/mol
LogP	2.3
Topological Polar Surface Area	74.6 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	344.19876
Monoisotopic Mass	344.19876
Heavy Atoms	25
Complexity	690.0

Chemical Identifiers

CAS Number	3247-38-9
SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(C[C@]4([C@H]3CCC4=C(C=O)O)C)O
InChIKey	JVIOAMIJLAYISK-MHLVISCWSA-N