| 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 |
| Alternate Name(s) |
(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 |
| 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)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 |
| Wiley ID |
782659 |
![(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](/api/spectrum/AzjNKzWx5Bw/structure.png?h=300&w=458 "(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")
