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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-pentyl-methanamide
SpectraBase Compound ID 2gdFZ1VrpU5
InChI InChI=1S/C25H42N2O2/c1-5-6-7-16-27(17-28)22-11-9-19-18-8-10-21-24(2,15-13-23(29)26(21)4)20(18)12-14-25(19,22)3/h17-22H,5-16H2,1-4H3/t18-,19-,20-,21+,22-,24+,25-/m0/s1
InChIKey DEHQNTITQNDAJK-WILZEYHLSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H42N2O2
Exact Mass 402.324629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvGb2LtCTaz
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-pentyl-methanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42N2O2
InChI InChI=1S/C25H42N2O2/c1-5-6-7-16-27(17-28)22-11-9-19-18-8-10-21-24(2,15-13-23(29)26(21)4)20(18)12-14-25(19,22)3/h17-22H,5-16H2,1-4H3/t18-,19-,20-,21+,22-,24+,25-/m0/s1
InChIKey DEHQNTITQNDAJK-WILZEYHLSA-N
Molecular Weight 402.623 g/mol
SMILES [C@@]12([C@](N(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(N(C=O)CCCCC)[H])[H])[H])[H])C
SPLASH splash10-0uka-5923300000-bd9adbd4f37609e6328c
Source of Spectrum E1-38-1167-30
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]-N-pentyl-formamide 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-amyl-formamide
Wiley ID 1598285