[11-(2,2-dimethylpropanoyloxy)-3-methoxy-13-methyl-6-oxidanylidene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [11-(2,2-dimethylpropanoyloxy)-3-methoxy-13-methyl-6-oxidanylidene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [11-(2,2-dimethylpropanoyloxy)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [11-(2,2-dimethyl-1-oxopropoxy)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [11-(2,2-dimethylpropanoyloxy)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (6-keto-3-methoxy-13-methyl-11-pivaloyloxy-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl) ester Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2OC(=O)C(C)(C)C)CC(=O)C4=C3C=CC(=C4)OC)OC(=O)C(C)(C)C

Isomeric SMILES

CC12CC(C3C(C1CCC2OC(=O)C(C)(C)C)CC(=O)C4=C3C=CC(=C4)OC)OC(=O)C(C)(C)C

InChI

InChI=1S/C29H40O6/c1-27(2,3)25(31)34-22-15-29(7)20(11-12-23(29)35-26(32)28(4,5)6)19-14-21(30)18-13-16(33-8)9-10-17(18)24(19)22/h9-10,13,19-20,22-24H,11-12,14-15H2,1-8H3