[(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-bis(chloranyl)-10,13-dimethyl-2-methylidene-17-oxidanylidene-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-bis(chloranyl)-10,13-dimethyl-2-methylidene-17-oxidanylidene-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylidene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-17-keto-10,13-dimethyl-2-methylene-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C22H30Cl2O3 MolecularWeight: 413.3778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2(C(CC3C4CCC(=O)C4(CCC3C2(CC1=C)C)C)Cl)Cl

Isomeric SMILES

CC(=O)O[C@@H]1C[C@]2([C@@H](C[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1=C)C)C)Cl)Cl

InChI

InChI=1S/C22H30Cl2O3/c1-12-10-21(4)16-7-8-20(3)15(5-6-19(20)26)14(16)9-18(23)22(21,24)11-17(12)27-13(2)25/h14-18H,1,5-11H2,2-4H3/t14-,15-,16-,17+,18+,20-,21+,22+/m0/s1