| SpectraBase Spectrum ID |
BaJdPgHEGPM |
| Name |
(1S)-1-[(2R,3S)-3-(Benzoyloxymethyl)-5-keto-2-(2-ketoethyl)pentyl]-1,3,4,9-tetrahydro-$B-carboline-2-carboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.210386688 u |
| Formula |
C28H30N2O6 |
| InChI |
InChI=1S/C28H30N2O6/c1-35-28(34)30-14-11-23-22-9-5-6-10-24(22)29-26(23)25(30)17-20(12-15-31)21(13-16-32)18-36-27(33)19-7-3-2-4-8-19/h2-10,15-16,20-21,25,29H,11-14,17-18H2,1H3/t20-,21+,25-/m0/s1 |
| InChIKey |
XVGSQDRYDLHIBK-BKSPAHHJSA-N |
| Molecular Weight |
490.556 g/mol |
| SMILES |
C1=2[C@@](N(C(=O)OC)CCC2C2=CC=CC=C2N1)(C[C@@]([C@@](COC(=O)C1=CC=CC=C1)(CC=O)[H])(CC=O)[H])[H] |
![(1S)-1-[(2R,3S)-3-(benzoyloxymethyl)-5-keto-2-(2-ketoethyl)pentyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester](/api/spectrum/BaJdPgHEGPM/structure.png?h=300&w=458 "(1S)-1-[(2R,3S)-3-(benzoyloxymethyl)-5-keto-2-(2-ketoethyl)pentyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester")
