| SpectraBase Spectrum ID |
19yV9RgPeFM |
| Name |
Yohimban-16-carboxylic acid, 17-hydroxy-11-methoxy-, methyl ester, (16.alpha.,17.alpha.)- |
| CAS Registry Number |
65025-21-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N2O4 |
| InChI |
InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16-,18-,19-,20+/m0/s1 |
| InChIKey |
DBCVUIBEXPYXAJ-SDVLLTEKSA-N |
| Molecular Weight |
384.476 g/mol |
| SMILES |
[nH]1c2cc(ccc2c2c1[C@@]1(C[C@@]3([C@]([C@](CC[C@]3(CN1CC2)[H])(O)[H])(C(=O)OC)[H])[H])[H])OC |
| SPLASH |
splash10-001i-0119000000-7cf28caa7e634e4a84f3 |
| Source of Spectrum |
W5-32779-32757-32757 |
| Synonyms |
Methyl (16alpha,17alpha)-17-hydroxy-11-methoxyyohimban-16-carboxylate |
| Wiley ID |
1361646 |
