| SpectraBase Spectrum ID |
6WDh5YBTGwh |
| Name |
Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3.alpha.)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester |
| Alternate Name(s) |
Methyl 3-[12-methoxy-18-(methoxycarbonyl)ibogamin-13-yl]vobasan-17-oate
6,9-Methano-5H-pyrido(1',2':1,2)azepino(4,5-b)indole-6-carboxylic acid, 3-(14-carboxy-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-3-methyl-2,6-methano-1H-azecino(5,4-b)indol-8-yl)-7-ethyl-6,6a,7,8,9,10,12,13-octahydro-2-methoxy-, dimethyl ester
Crystalline compound from Voacanga afracina
Voacamine
Voacanginine
Vocamine
B 606109
NSC 82591 |
| CAS Registry Number |
3371-85-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C43H52N4O5 |
| InChI |
InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24+,28+,31+,35-,37+,40+,43+/m0/s1 |
| InChIKey |
VCMIRXRRQJNZJT-NFPWUIIJSA-N |
| Molecular Weight |
704.912 g/mol |
| SMILES |
[C@@]12(c3c(c4cc(OC)c([C@@]5(c6c(C[C@]7([C@@]([C@](C5)(\C(CN7C)=C/C)[H])(C(=O)OC)[H])[H])c5ccccc5[nH]6)[H])cc4[nH]3)CCN3[C@@]1([C@](CC)(C[C@](C3)(C2)[H])[H])[H])C(=O)OC |
| SPLASH |
splash10-008i-0900012000-3b4c6d7d4426425f73a8 |
| Source of Spectrum |
AC-63-1902-6 |
| Wiley ID |
1415165 |
![Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3.alpha.)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester](/api/spectrum/6WDh5YBTGwh/structure.png?h=300&w=458 "Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3.alpha.)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester")
