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N-[(1S,3aS,3bR,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]-N-(4-methoxyphenyl)benzamide
SpectraBase Compound ID 5dX4MtwKcZG
InChI InChI=1S/C33H42N2O3/c1-32-21-19-30(36)34(3)28(32)16-14-25-26-15-17-29(33(26,2)20-18-27(25)32)35(23-10-12-24(38-4)13-11-23)31(37)22-8-6-5-7-9-22/h5-13,25-29H,14-21H2,1-4H3/t25-,26-,27-,28+,29-,32+,33-/m0/s1
InChIKey COZQUHKCQUPYNJ-QPBKRSJUSA-N
Mol Weight 514.7 g/mol
Molecular Formula C33H42N2O3
Exact Mass 514.319543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgfpU43rWQR
Name N-[(1S,3aS,3bR,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]-N-(4-methoxyphenyl)benzamide
Alternate Name(s) N-[(1S,3aS,3bR,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]-N-(4-methoxyphenyl)benzamide N-[(1S,3aS,3bR,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]-N-(4-methoxyphenyl)benzamide
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Formula C33H42N2O3
InChI InChI=1S/C33H42N2O3/c1-32-21-19-30(36)34(3)28(32)16-14-25-26-15-17-29(33(26,2)20-18-27(25)32)35(23-10-12-24(38-4)13-11-23)31(37)22-8-6-5-7-9-22/h5-13,25-29H,14-21H2,1-4H3/t25-,26-,27-,28+,29-,32+,33-/m0/s1
InChIKey COZQUHKCQUPYNJ-QPBKRSJUSA-N
Molecular Weight 514.710 g/mol
SMILES [C@@]12([C@@](N(C(=O)c3ccccc3)c3ccc(cc3)OC)(CC[C@]2([C@@]2(CC[C@]3(N(C)C(CC[C@@]3([C@]2(CC1)[H])C)=O)[H])[H])[H])[H])C
SPLASH splash10-08fr-0920510000-f0e592137ebdc81c9c6a
Source of Spectrum E1-38-1170-49
Wiley ID 1598266