| SpectraBase Spectrum ID |
BVEwcxBM153 |
| Name |
(+)-(1R,2S,5R,6R,7S)-5-n-Butyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricycl[5.2.1.0(2,6)]dec-8-en-3-one |
| Appearance |
White crystals |
| 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+/m1/s1 |
| InChIKey |
FEXSAGMTAFYPDD-XUFBONQXSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.906 |
| Molecular Weight |
325.452 g/mol |
| Optical Rotation |
[a]D20 = +105.9 (c = 1.1, CHCl3) |
| SMILES |
OC[C@](N1[C@@]([C@]2([C@]([C@@]3(C[C@]2(C=C3)[H])[H])(C1=O)[H])[H])(CCCC)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-002f-0290000000-f3f1cf473188d4c646b1 |
| Source of Spectrum |
ARK-2004-40-4c |
| Wiley ID |
1876058 |
![(+)-(1R,2S,5R,6R,7S)-5-n-Butyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricycl[5.2.1.0(2,6)]dec-8-en-3-one](/api/spectrum/BVEwcxBM153/structure.png?h=300&w=458 "(+)-(1R,2S,5R,6R,7S)-5-n-Butyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricycl[5.2.1.0(2,6)]dec-8-en-3-one")
