1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 2-(1-adamantyl)ethanoate

Systemtic Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 2-(1-adamantyl)ethanoate Openeye Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl ester IUPAC Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl ester Formula: C33H51NO3 MolecularWeight: 509.76294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C)OC(=O)CC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C)OC(=O)CC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H51NO3/c1-20(37-30(36)19-33-16-21-13-22(17-33)15-23(14-21)18-33)25-6-7-26-24-5-8-28-32(3,12-10-29(35)34(28)4)27(24)9-11-31(25,26)2/h20-28H,5-19H2,1-4H3/t20?,21?,22?,23?,24-,25+,26-,27-,28+,31+,32+,33?/m0/s1