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(1R,3aS,3bS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,6,8,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-g][1]benzazepin-7-one

View entire compound with spectra: 1 MS (GC)

(1R,3aS,3bS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,6,8,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-g][1]benzazepin-7-one
SpectraBase Compound ID FGexRl8R4ys
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-24-27(5,16-7-10-25(29)28-24)23(20)15-17-26(21,22)4/h14,18-23H,6-13,15-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey RTEQJXQNNGDKJN-VHHOZFFRSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19rKuN1KxD1
Name (1R,3aS,3bS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,6,8,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-g][1]benzazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-24-27(5,16-7-10-25(29)28-24)23(20)15-17-26(21,22)4/h14,18-23H,6-13,15-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey RTEQJXQNNGDKJN-VHHOZFFRSA-N
Molecular Weight 399.663 g/mol
SMILES N1C(CCC[C@]2(C1=CC[C@]1([C@]3([C@](CC[C@]21[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])C)=O
SPLASH splash10-0002-4109200000-55165f5634a760ad783f
Source of Spectrum KC-0-3249-54
Synonyms (1R,3aS,3bS,10aR,10bS,12aR)-10a,12a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,6,8,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-g][1]benzazepin-7-one
Wiley ID 782639