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 11-ethylsulfinylundecanoate

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 11-ethylsulfinylundecanoate 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 11-ethylsulfinylundecanoate CAS Name: 11-ethylsulfinylundecanoic 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 11-ethylsulfinylundecanoate Traditional Name: 11-ethylsulfinylundecanoic 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: C34H59NO4S MolecularWeight: 577.90156

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCCCCCCCCCC(=O)OC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

Isomeric SMILES

CCS(=O)CCCCCCCCCCC(=O)OC(C)[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

InChI

InChI=1S/C34H59NO4S/c1-6-40(38)24-14-12-10-8-7-9-11-13-15-32(37)39-25(2)27-17-18-28-26-16-19-30-34(4,23-21-31(36)35(30)5)29(26)20-22-33(27,28)3/h25-30H,6-24H2,1-5H3/t25?,26-,27+,28-,29-,30+,33+,34+,40?/m0/s1