| SpectraBase Spectrum ID |
FN8ESvfop9X |
| Name |
Ibogamine-18-carboxylic acid, 16,17-didehydro-9,17-dihydro-9,20-dihydroxy-12-methoxy-, methyl ester, (20S)- |
| CAS Registry Number |
15215-86-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28N2O5 |
| InChI |
InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(26)29-3)18(15)24(11-13)7-6-22(27)16-9-14(28-2)4-5-17(16)23-19(21)22/h4-5,9,12-13,15,18,25,27H,6-8,10-11H2,1-3H3/t12?,13-,15?,18+,21+,22?/m0/s1 |
| InChIKey |
MMANMJCGIGNJGH-UDYQCFLCSA-N |
| Molecular Weight |
400.475 g/mol |
| SMILES |
OC12CCN3[C@]4([C@](C[C@](CC4C(C)O)(C3)[H])(C2=Nc2ccc(cc12)OC)C(=O)OC)[H] |
| SPLASH |
splash10-0ue9-0954100000-274bd470195e4dd34895 |
| Source of Spectrum |
NB-0-1535-0 |
| Synonyms |
Methyl 9,20-dihydroxy-12-methoxy-16,17-didehydro-9,17-dihydroibogamine-18-carboxylate
Voacristine hydroxyindolenine |
| Wiley ID |
57111 |
