| SpectraBase Spectrum ID |
1j8D4yfhk6T |
| Name |
Yohimban-16-carboxylic acid, 17,18-dihydroxy-, methyl ester, (16.alpha.,17.alpha.,18.alpha.)- |
| CAS Registry Number |
69862-18-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N2O4 |
| InChI |
InChI=1S/C21H26N2O4/c1-27-21(26)18-14-9-16-19-13(12-4-2-3-5-15(12)22-19)6-7-23(16)10-11(14)8-17(24)20(18)25/h2-5,11,14,16-18,20,22,24-25H,6-10H2,1H3/t11-,14-,16-,17-,18+,20-/m0/s1 |
| InChIKey |
MMVZFQGCDSDHSV-DZGUOLSRSA-N |
| Molecular Weight |
370.449 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1[C@@]1(C[C@]3([C@@](C[C@@]([C@@]([C@@]3(C(=O)OC)[H])(O)[H])(O)[H])(CN1CC2)[H])[H])[H] |
| SPLASH |
splash10-01b9-0209000000-0a9190368cc70f734bab |
| Source of Spectrum |
W5-32108-0-0 |
| Synonyms |
Methyl (16alpha,17alpha,18alpha)-17,18-dihydroxyyohimban-16-carboxylate |
| Wiley ID |
1354359 |
