Deladumone

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate

Also Known As: Deladumone|(8xi,9xi,14xi)-3-Hydroxyestra-1(10),2,4-trien-17beta-yl pentanoate--3-oxoandrost-4-en-17beta-yl heptanoate (1/1)|[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate; [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate|3-Hydroxyestra-1(10),2,4-trien-17-yl pentanoate--3-oxoandrost-4-en-17-yl heptanoate (1/1)

Molecular Formula	C49H72O6
Molecular Weight	756.5329 g/mol
LogP	11.7508
Topological Polar Surface Area	89.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	756.5329
Monoisotopic Mass	756.5329
Heavy Atoms	55
Complexity	1200.0

Chemical Identifiers

CAS Number	8064-65-1
SMILES	CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C.CCCCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CCC4=C3C=CC(=C4)O)C
InChIKey	RVWDHKGCQPULBK-DVBNNDNZSA-N