| SpectraBase Spectrum ID |
C0wJFuOHMbB |
| Name |
Sarpagan-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, (16R)- |
| CAS Registry Number |
664-25-5 |
| Comments |
Note: The molecular formula of the structure shown is C22H28N2O3 - which differs from the formula reported for the mass spectrum (C22H26N2O3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26N2O3 |
| InChI |
InChI=1S/C22H28N2O3/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/h4-8,14,16,18-19,23,25H,9-12H2,1-3H3/b13-4-/t14?,16-,18-,19+,22-/m1/s1 |
| InChIKey |
LLGYHHXDYYKPPB-DGHPKVBESA-N |
| Molecular Weight |
368.477 g/mol |
| SMILES |
OC[C@]1(C(=O)OC)[C@@]2(CC=3C4C=CC=CC4=N(C)C3[C@]3(C[C@@]1(\C(CN23)=C/C)[H])[H])[H] |
| SPLASH |
splash10-02u0-0449000000-68aa7e973f012db290f6 |
| Source of Spectrum |
AN-78-526-1 |
| Synonyms |
Methyl (19trans)-17-hydroxy-1-methylsarpagan-16-carboxylate
Methyl (15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3lambda(5),17-diazapentacyclo[12.3.1.0(2,10).0(4,9).0(12,17)]octadeca-2(10),3,5,7-tetraene-13-carboxylate
Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate
Voacalotine
Voachalotine
EINECS 211-556-0
NSC 180537 |
| Wiley ID |
1352152 |
