| SpectraBase Compound ID | HkI99YVTXDQ |
|---|---|
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 |
| InChIKey | QEVHRUUCFGRFIF-MDEJGZGSSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C33H40N2O9 |
| Exact Mass | 608.273381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HVSuade5nHW |
|---|---|
| Name | Methyl-11,17.alpha.-dimethoxy-18.beta.-(3,4,5-trimethoxybenzoyloxy)-3.beta.,20.alpha.-yohimban-16.beta.-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H40N2O9 |
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 |
| InChIKey | QEVHRUUCFGRFIF-MDEJGZGSSA-N |
| Molecular Weight | 608.688 g/mol |
| SMILES | [nH]1c2cc(ccc2c2c1[C@@]1(N(CC2)C[C@]2(C[C@]([C@@]([C@]([C@]2(C1)[H])(C(=O)OC)[H])(OC)[H])(OC(c1cc(OC)c(c(c1)OC)OC)=O)[H])[H])[H])OC |
| SPLASH | splash10-0a4j-0578009000-aec26d4072e7286e735b |
| Source of Spectrum | CJ-1992-0-0 |
| Synonyms | (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquinolino[3,2-a]$b-carboline-1-carboxylic acid methyl ester (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-16-(methoxycarbonyl)yohimban-18-yl 3,4,5-trimethoxybenzoate (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester Methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxyphenyl)carbonyloxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Wiley ID | 1410733 |