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

View entire compound with spectra: 1 MS (GC)

(1R,3aS,3bS,5aS,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][1]benzazepin-9-one
SpectraBase Compound ID vqf7xz1NMS
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(29)28-27(20,5)24(21)16-17-26(22,23)4/h7,11,18-24H,6,8-10,12-17H2,1-5H3,(H,28,29)/t19-,20-,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey IODFIMJRTODKND-ORMLOLTMSA-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 AzjNKzWx5Bw
Name (1R,3aS,3bS,5aS,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][1]benzazepin-9-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(29)28-27(20,5)24(21)16-17-26(22,23)4/h7,11,18-24H,6,8-10,12-17H2,1-5H3,(H,28,29)/t19-,20-,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey IODFIMJRTODKND-ORMLOLTMSA-N
Molecular Weight 399.663 g/mol
SMILES N1C(C=CC[C@@]2(CC[C@@]3([C@@]([C@@]12C)(CC[C@@]1([C@](CC[C@@]31[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])=O
SPLASH splash10-00dr-2901000000-5694d53728072060b9fd
Source of Spectrum KC-0-3246-39
Synonyms (1R,3aS,3bS,5aS,10aS,10bS,12aR)-10a,12a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][1]benzazepin-9-one
Wiley ID 782659