| SpectraBase Spectrum ID |
3c13b4tZFX4 |
| Name |
1H-Indolo[3,2-e][2]benzazecine-1-carboxylic acid, 2,3,4,4a,5,6,7,8,13,14,15,15a-dodecahydro-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [1S-(1R*,2S*,3S*,4aR*,15aR*)]- |
| Alternate Name(s) |
Methyl 2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-2,3,4,4a,5,6,7,8,13,14,15,15a-dodecahydro-1H-indolo[3,2-E][2]benzazecine-1-carboxylate
3,4-Seco-20.alpha.-yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) |
| CAS Registry Number |
16625-52-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H42N2O9 |
| InChI |
InChI=1S/C33H42N2O9/c1-38-20-7-8-22-23-11-12-34-17-19-15-28(44-32(36)18-13-26(39-2)30(41-4)27(14-18)40-3)31(42-5)29(33(37)43-6)21(19)9-10-24(23)35-25(22)16-20/h7-8,13-14,16,19,21,28-29,31,34-35H,9-12,15,17H2,1-6H3 |
| InChIKey |
APLVTQNSTBUCFT-UHFFFAOYSA-N |
| Molecular Weight |
610.704 g/mol |
| SMILES |
[nH]1c2c(CCNCC3C(CC2)C(C(C(C3)OC(c2cc(c(c(c2)OC)OC)OC)=O)OC)C(=O)OC)c2ccc(cc12)OC |
| SPLASH |
splash10-0udi-0111902000-2d20ae56aa9d38348851 |
| Source of Spectrum |
AD-0-2592-0 |
| Wiley ID |
1410904 |
![1H-Indolo[3,2-e][2]benzazecine-1-carboxylic acid, 2,3,4,4a,5,6,7,8,13,14,15,15a-dodecahydro-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [1S-(1R*,2S*,3S*,4aR*,15aR*)]-](/api/spectrum/3c13b4tZFX4/structure.png?h=300&w=458 "1H-Indolo[3,2-e][2]benzazecine-1-carboxylic acid, 2,3,4,4a,5,6,7,8,13,14,15,15a-dodecahydro-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [1S-(1R*,2S*,3S*,4aR*,15aR*)]-")
