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

Systemtic Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetyloxy-17-[(2R)-5-chloranyl-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetoxy-17-[(1R)-4-chloro-1-methyl-4-oxo-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetyloxy-17-[(2R)-5-chloro-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetyloxy-17-[(2R)-5-chloro-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetoxy-17-[(1R)-4-chloro-4-keto-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C30H45ClO7 MolecularWeight: 553.1271

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)Cl)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)OC(=O)C)C

Isomeric SMILES

C[C@H](CCC(=O)Cl)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C30H45ClO7/c1-16(7-10-27(31)35)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)34)29(5)12-11-21(36-17(2)32)13-20(29)14-25(28)37-18(3)33/h16,20-26,28H,7-15H2,1-6H3/t16-,20+,21-,22-,23+,24+,25-,26+,28+,29+,30-/m1/s1