| SpectraBase Spectrum ID |
6yFaQXKnh6W |
| Name |
Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3.beta.,16E,20.beta.)- |
| Alternate Name(s) |
17,18-seco-3.beta.,20.alpha.-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-
3-Isocorynantheidine
Isocorynantheidine
Isocorynantheidine (epiallo)
Methyl (2E)-2-[(2R,5R)-5-ethyl-7,17-diazatetracyclo[8.7.0.0(2,7).0(11,16)]heptadeca-1(10),11,13,15-tetraen-4-yl]-3-methoxyprop-2-enoate |
| CAS Registry Number |
7729-22-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N2O3 |
| InChI |
InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17?,20+/m0/s1 |
| InChIKey |
NMLUOJBSAYAYEM-PDCKBWJDSA-N |
| Molecular Weight |
368.477 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1[C@@]1(N(CC2)C[C@@](C(C1)\C(C(=O)OC)=C/OC)(CC)[H])[H] |
| SPLASH |
splash10-0159-0829000000-ee7f3c8d6cb53ee3c7f1 |
| Source of Spectrum |
F-25-5963-2 |
| Wiley ID |
1353220 |
