(1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-2-(1,3-benzodioxol-5-ylmethylidene)-6,9a,11a-trimethyl-1-oxidanyl-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

Systemtic Name: (1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-2-(1,3-benzodioxol-5-ylmethylidene)-6,9a,11a-trimethyl-1-oxidanyl-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one Openeye Name: (1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-2-(1,3-benzodioxol-5-ylmethylene)-1-hydroxy-6,9a,11a-trimethyl-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one CAS Name: (1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-2-(1,3-benzodioxol-5-ylmethylidene)-1-hydroxy-6,9a,11a-trimethyl-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one IUPAC Name: (1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-2-(1,3-benzodioxol-5-ylmethylidene)-1-hydroxy-6,9a,11a-trimethyl-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one Traditional Name: (1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-1-hydroxy-6,9a,11a-trimethyl-2-piperonylidene-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(=CC4=CC5=C(C=C4)OCO5)C2O)CCC6C3(C=CC(=O)N6C)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\C4=CC5=C(C=C4)OCO5)/[C@@H]2O)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C

InChI

InChI=1S/C27H33NO4/c1-26-11-9-24(29)28(3)23(26)7-5-18-19(26)8-10-27(2)20(18)14-17(25(27)30)12-16-4-6-21-22(13-16)32-15-31-21/h4,6,9,11-13,18-20,23,25,30H,5,7-8,10,14-15H2,1-3H3/b17-12+/t18-,19+,20+,23-,25+,26-,27+/m1/s1