SpectraBase Spectrum ID |
ALTGngRrlzr |
Name |
(rac)-Dibenzyl (1aR,3S,3aR,5S,6aR,6bS)-3-acetyloctahydro-6H-oxireno[2,3-g]indole-5,6-dicarboxylate |
Appearance |
Yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
449.183837587 u |
Formula |
C26H27NO6 |
InChI |
InChI=1S/C26H27NO6/c1-16(28)19-13-22-24(33-22)23-20(19)12-21(25(29)31-14-17-8-4-2-5-9-17)27(23)26(30)32-15-18-10-6-3-7-11-18/h2-11,19-24H,12-15H2,1H3/t19-,20-,21+,22-,23-,24-/m1/s1 |
InChIKey |
GMBRIZJZDCSEJK-UNBXWCMQSA-N |
Instrument Name |
Finnigan MAT 90 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.201501199 |
Molecular Weight |
449.503 g/mol |
Quality |
67 |
Reported Formula |
C26H27NO6 |
SMILES |
C1[C@@]([C@@]2([C@]([C@]3([C@@]1(O3)[H])[H])(N(C(=O)OCC1=CC=CC=C1)[C@](C(=O)OCC=1C=CC=CC1)(C2)[H])[H])[H])(C(=O)C)[H] |
SPLASH |
splash10-0006-9011000000-e397bc017793cfe6eaca |
Sample Comments |
dr = 57:43 |
Source of Spectrum |
QE-21-SM28-38a (DOI: 10.1002/chem.201501199) |
Thin-Layer Chromatography |
0.36 (cHex/EtOAc, 1:1) |
Wiley ID |
1906902 |