![7-(3-acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2-carboxylic acid methyl ester](/api/spectrum/JI183ukgRJt/structure.png?h=300&w=458 "7-(3-acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2-carboxylic acid methyl ester")
| SpectraBase Compound ID | EN9z6CUXKDL |
|---|---|
| InChI | InChI=1S/C34H38N2O9/c1-23(37)43-15-10-16-44-31-19-29(36-34(39)41-3)27(28-18-30(33(38)40-2)35-32(28)31)17-26(45-21-25-13-8-5-9-14-25)22-42-20-24-11-6-4-7-12-24/h4-9,11-14,18-19,26,35H,10,15-17,20-22H2,1-3H3,(H,36,39)/t26-/m0/s1 |
| InChIKey | PPWBSZRQODMNOH-SANMLTNESA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C34H38N2O9 |
| Exact Mass | 618.257731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JI183ukgRJt |
|---|---|
| Name | 7-(3-Acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 618.257730803 u |
| Formula | C34H38N2O9 |
| InChI | InChI=1S/C34H38N2O9/c1-23(37)43-15-10-16-44-31-19-29(36-34(39)41-3)27(28-18-30(33(38)40-2)35-32(28)31)17-26(45-21-25-13-8-5-9-14-25)22-42-20-24-11-6-4-7-12-24/h4-9,11-14,18-19,26,35H,10,15-17,20-22H2,1-3H3,(H,36,39)/t26-/m0/s1 |
| InChIKey | PPWBSZRQODMNOH-SANMLTNESA-N |
| Molecular Weight | 618.683 g/mol |
| SMILES | C=1(NC=2C(=CC(=C(C2C1)C[C@@](COCC=1C=CC=CC1)(OCC=1C=CC=CC1)[H])NC(=O)OC)OCCCOC(=O)C)C(=O)OC |