[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate Openeye Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C30H42O3 MolecularWeight: 450.65268

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=O)CCC37C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=O)CC[C@]37C

InChI

InChI=1S/C30H42O3/c1-28-9-7-22(31)14-21(28)3-4-23-24-5-6-26(29(24,2)10-8-25(23)28)33-27(32)30-15-18-11-19(16-30)13-20(12-18)17-30/h14,18-20,23-26H,3-13,15-17H2,1-2H3/t18?,19?,20?,23-,24-,25-,26-,28-,29-,30?/m0/s1