Climacterone

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

Also Known As: Climacteron|Climacterone|[(8R,9S,13S,14S,17S)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(3Z,10R,13S)-3-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate|Estra-1,3,5(10)-triene-3,17-diol (17beta)-, diheptanoate, mixt. with (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and alpha-hydroxy-alpha-phenylbenzeneacetic acid (17beta)-(17-((1-oxoheptyl)oxy)androst-4-en-3-ylidene)hydrazide

Molecular Formula	C97H128N2O11
Molecular Weight	1496.9518 g/mol
LogP	21.6632
Topological Polar Surface Area	187.12 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	24
Exact Mass	1496.9518
Monoisotopic Mass	1497.9552
Heavy Atoms	110
Complexity	3999.6763

Chemical Identifiers

CAS Number	8063-58-9
SMILES	CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCCCCC)C.CCCCCCC(=O)OC1CCC2[C@@]1(CCC3C2CCC4=C/C(=N\NC(=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)/CC[C@]34C)C.C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5