| SpectraBase Spectrum ID |
48XAKBFc2q |
| Name |
(-)-(1S,2R,5S,6S,7R)-5-n-Butyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H27NO2 |
| InChI |
InChI=1S/C21H27NO2/c1-2-3-9-17-19-15-10-11-16(12-15)20(19)21(24)22(17)18(13-23)14-7-5-4-6-8-14/h4-8,10-11,15-20,23H,2-3,9,12-13H2,1H3/t15-,16+,17-,18-,19+,20+/m0/s1 |
| InChIKey |
FEXSAGMTAFYPDD-GNVSMLMZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.906 |
| Molecular Weight |
325.452 g/mol |
| Optical Rotation |
[a]D20 = -6.1 (c = 0.59, CHCl3) |
| SMILES |
OC[C@](N1C([C@]2([C@]([C@@]3(C[C@]2(C=C3)[H])[H])([C@@]1(CCCC)[H])[H])[H])=O)(c1ccccc1)[H] |
| SPLASH |
splash10-002f-0090000000-413bd8abf58c863a7727 |
| Source of Spectrum |
ARK-2004-41-5c |
| Wiley ID |
1876061 |
![(-)-(1S,2R,5S,6S,7R)-5-n-Butyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3-one](/api/spectrum/48XAKBFc2q/structure.png?h=300&w=458 "(-)-(1S,2R,5S,6S,7R)-5-n-Butyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3-one")
