| SpectraBase Spectrum ID |
3U8MggtMBC3 |
| Name |
(-)-(1S,2R,5S,6S,7R)-5-methyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[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 |
C18H21NO2 |
| InChI |
InChI=1S/C18H21NO2/c1-11-16-13-7-8-14(9-13)17(16)18(21)19(11)15(10-20)12-5-3-2-4-6-12/h2-8,11,13-17,20H,9-10H2,1H3/t11-,13-,14+,15-,16-,17+/m0/s1 |
| InChIKey |
PNKWTXNZRFIPKR-MNMQIZOCSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.906 |
| Molecular Weight |
283.371 g/mol |
| Optical Rotation |
[a]D20 = -51.4 (c = 1.06, CHCl3) |
| SMILES |
OC[C@](N1C([C@]2([C@]([C@@]3(C[C@]2(C=C3)[H])[H])([C@@]1(C)[H])[H])[H])=O)(c1ccccc1)[H] |
| SPLASH |
splash10-000i-0940000000-fd0b490247055da18d22 |
| Source of Spectrum |
ARK-2004-40-5a |
| Wiley ID |
1876059 |
![(-)-(1S,2R,5S,6S,7R)-5-methyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3-one](/api/spectrum/3U8MggtMBC3/structure.png?h=300&w=458 "(-)-(1S,2R,5S,6S,7R)-5-methyl-4-[(1'R)-1'-phenyl-2'-hydroxy-ethyl]-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-3-one")
