| SpectraBase Spectrum ID |
EjvQQHIfLUS |
| Name |
Yohimban-16-carboxylic acid, 19,20-didehydro-17-oxo-, methyl ester, (16.alpha.)- |
| Alternate Name(s) |
19,20-Didehydroyohimbinone
Methyl (16alpha)-17-oxo-19,20-didehydroyohimban-16-carboxylate |
| CAS Registry Number |
54725-63-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N2O3 |
| InChI |
InChI=1S/C21H22N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-6,15,17,19,22H,7-11H2,1H3/t15-,17-,19+/m0/s1 |
| InChIKey |
RKRZBEMNOXHQGI-VDZJLULYSA-N |
| Molecular Weight |
350.418 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1[C@]1(N(CC2)CC2=CCC([C@@]([C@]2(C1)[H])(C(=O)OC)[H])=O)[H] |
| SPLASH |
splash10-0a4i-9300000000-4336d6bfd37167ea0994 |
| Source of Spectrum |
SD-1981-0-0 |
| Wiley ID |
1342061 |
