| SpectraBase Spectrum ID |
51o2lRvg0E0 |
| Name |
(rac)-1,2-Dibenzyl 4-ethyl (2S,3aR,4S,6S,7S,7aR)-7-hydroxy-6-methoxyoctahydro-1H-indole-1,2,4-tricarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.220617019 u |
| Formula |
C28H33NO8 |
| InChI |
InChI=1S/C28H33NO8/c1-3-35-26(31)21-15-23(34-2)25(30)24-20(21)14-22(27(32)36-16-18-10-6-4-7-11-18)29(24)28(33)37-17-19-12-8-5-9-13-19/h4-13,20-25,30H,3,14-17H2,1-2H3/t20-,21+,22+,23+,24-,25-/m1/s1 |
| InChIKey |
OICJOGHGJVOHNA-QPKNRHBWSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
511.571 g/mol |
| Quality |
89 |
| Reported Formula |
C28H33NO8 |
| SMILES |
O[C@]1([C@]2([C@@]([C@](C[C@@]1(OC)[H])(C(=O)OCC)[H])(C[C@@](C(=O)OCC=1C=CC=CC1)(N2C(=O)OCC1=CC=CC=C1)[H])[H])[H])[H] |
| SPLASH |
splash10-0006-9014000000-0e685d493821ae0a63d9 |
| Source of Spectrum |
QE-21-SM23-34 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.31 (cHex/EtOAc, 1:1) |
| Wiley ID |
1906898 |
