1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl 12-propan-2-ylsulfanyldodecanoate

Systemtic Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl 12-propan-2-ylsulfanyldodecanoate Openeye Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl 12-isopropylsulfanyldodecanoate CAS Name: 12-(propan-2-ylthio)dodecanoic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl ester IUPAC Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl 12-propan-2-ylsulfanyldodecanoate Traditional Name: 12-(isopropylthio)lauric acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl ester Formula: C35H61NO3S MolecularWeight: 575.92874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCCC(=O)OC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4)C)C

Isomeric SMILES

CC(C)SCCCCCCCCCCCC(=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)N4)C)C

InChI

InChI=1S/C35H61NO3S/c1-25(2)40-24-14-12-10-8-6-7-9-11-13-15-33(38)39-26(3)28-17-18-29-27-16-19-31-35(5,23-21-32(37)36-31)30(27)20-22-34(28,29)4/h25-31H,6-24H2,1-5H3,(H,36,37)/t26?,27-,28+,29-,30-,31+,34+,35+/m0/s1