[(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 3-methyl-4-oxidanylidene-chromene-6-carboxylate

Systemtic Name: [(8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 3-methyl-4-oxidanylidene-chromene-6-carboxylate Openeye Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 3-methyl-4-oxo-chromene-6-carboxylate CAS Name: 3-methyl-4-oxo-1-benzopyran-6-carboxylic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] 3-methyl-4-oxochromene-6-carboxylate Traditional Name: 4-keto-3-methyl-chromene-6-carboxylic acid [(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C32H34O6 MolecularWeight: 514.60876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C1=O)C=C(C=C2)C(=O)OC3CC4(C(CCC4C(=O)C)C5C3C6(CCC(=O)C=C6C=C5)C)C

Isomeric SMILES

CC1=COC2=C(C1=O)C=C(C=C2)C(=O)O[C@H]3C[C@]4([C@@H](CC[C@@H]4C(=O)C)[C@H]5[C@@H]3[C@@]6(CCC(=O)C=C6C=C5)C)C

InChI

InChI=1S/C32H34O6/c1-17-16-37-26-10-5-19(13-23(26)29(17)35)30(36)38-27-15-32(4)24(18(2)33)8-9-25(32)22-7-6-20-14-21(34)11-12-31(20,3)28(22)27/h5-7,10,13-14,16,22,24-25,27-28H,8-9,11-12,15H2,1-4H3/t22-,24+,25-,27-,28-,31+,32+/m0/s1