| SpectraBase Spectrum ID |
EUIeg5MG9y6 |
| 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*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
610.289030931 u |
| 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 |
C(OC)(=O)C1C2C(CC(C1OC)OC(=O)C1=CC(OC)=C(C(=C1)OC)OC)CNCCC1=C(CC2)NC=2C1=CC=C(C2)OC |
![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/EUIeg5MG9y6/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*)]-")
