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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]-2-methyl-N-(4-nitrophenyl)propanamide
SpectraBase Compound ID 9NqaAayRy0L
InChI InChI=1S/C29H41N3O4/c1-18(2)27(34)31(19-6-8-20(9-7-19)32(35)36)25-13-11-22-21-10-12-24-28(3,17-15-26(33)30(24)5)23(21)14-16-29(22,25)4/h6-9,18,21-25H,10-17H2,1-5H3/t21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey ZFXRZGCZDCRDBC-QTRBIBNASA-N
Mol Weight 495.7 g/mol
Molecular Formula C29H41N3O4
Exact Mass 495.309707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9ZlgzSlHF5
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]-2-methyl-N-(4-nitrophenyl)propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H41N3O4
InChI InChI=1S/C29H41N3O4/c1-18(2)27(34)31(19-6-8-20(9-7-19)32(35)36)25-13-11-22-21-10-12-24-28(3,17-15-26(33)30(24)5)23(21)14-16-29(22,25)4/h6-9,18,21-25H,10-17H2,1-5H3/t21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey ZFXRZGCZDCRDBC-QTRBIBNASA-N
Molecular Weight 495.664 g/mol
SMILES [C@]12([C@@](N(C(=O)C(C)C)c3ccc(N(=O)=O)cc3)(CC[C@]1([C@@]1(CC[C@]3(N(C)C(CC[C@@]3([C@]1(CC2)[H])C)=O)[H])[H])[H])[H])C
SPLASH splash10-00fs-9760700000-3b5c7c687c53a65595e6
Source of Spectrum E1-38-1170-52
Synonyms 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]-2-methyl-N-(4-nitrophenyl)propanamide 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]-2-methyl-N-(4-nitrophenyl)propionamide
Wiley ID 1598262