| 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 |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2urU0NYZbxm |
|---|---|
| Name | 11,17alpha-dimethoxy-18 beta-hydroxy-3 beta,20alpha-yohimban-16 beta-carboxylic acid, methyl ester, 3,4,5-trimethoxybenzoate (ester) |
| Copyright | Copyright © 2009-2024 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 |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 33553M |
| Solvent | CDCl3 |