Sterolibrin

[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Also Known As: Sterolibrin|Biogest|[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol|Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-16-methylene-, mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate; (8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol|6-Chloro-16-methylidene-3,20-dioxopregna-4,6-dien-17-yl acetate--(17xi)-3-methoxy-19-norpregna-1(10),2,4-trien-20-yn-17-ol (1/1)|6-Chloro-16-methylidene-3,20-dioxopregna-4,6-dien-17-yl acetate--3-methoxy-19-norpregna-1(10),2,4-trien-20-yn-17-ol (1/1)

Molecular Formula	C45H55ClO6
Molecular Weight	726.3687 g/mol
LogP	8.8334
Topological Polar Surface Area	89.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	726.3687
Monoisotopic Mass	726.3687
Heavy Atoms	52
Complexity	1833.8723

Chemical Identifiers

CAS Number	8077-77-8
SMILES	CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC