| SpectraBase Spectrum ID |
8b7MIlteBxI |
| Name |
Sarpagan-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, (16R)- |
| CAS Registry Number |
664-25-5 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26N2O3 |
| InChI |
InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4+/t16-,18?,19-,22-/m1/s1 |
| InChIKey |
IWEYXWIPVZEVPT-SFJVNACPSA-N |
| Molecular Weight |
366.461 g/mol |
| SMILES |
OC[C@@]1([C@]2(Cc3c4c([n](c3C3N2C\C([C@]1(C3)[H])=C/C)C)cccc4)[H])C(OC)=O |
| SPLASH |
splash10-0159-1945000000-5f56f6eafc44b13d9755 |
| Source of Spectrum |
AD-0-832-0 |
| Synonyms |
Methyl (19trans)-17-hydroxy-1-methylsarpagan-16-carboxylate
Voachalotine
Voacalotine |
| Wiley ID |
1352151 |
