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

Systemtic Name: [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetyloxy-5-chloranyl-17-ethanoyl-10,13-dimethyl-16-methylidene-6-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-5-chloro-6-hydroxy-10,13-dimethyl-16-methylene-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-5-chloro-6-hydroxy-10,13-dimethyl-16-methylene-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-5-chloro-6-hydroxy-10,13-dimethyl-16-methylidene-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-5-chloro-6-hydroxy-10,13-dimethyl-16-methylene-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C26H37ClO6 MolecularWeight: 481.02138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(=C)CC2C1(CCC3C2CC(C4(C3(CCC(C4)OC(=O)C)C)Cl)O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37ClO6/c1-14-11-21-19-12-22(31)25(27)13-18(32-16(3)29)7-9-23(25,5)20(19)8-10-24(21,6)26(14,15(2)28)33-17(4)30/h18-22,31H,1,7-13H2,2-6H3/t18-,19+,20-,21-,22+,23+,24-,25-,26-/m0/s1