| SpectraBase Spectrum ID |
BvewoYxv5IE |
| Name |
(rac)-dibenzyl (1aS,3S,3aR,5S,6aR,6bR)-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-VXAMWORUSA-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-SM28-38b (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.36 (cHex/EtOAc, 1:1) |
| Wiley ID |
1906903 |
![(rac)-dibenzyl (1aS,3S,3aR,5S,6aR,6bR)-3-acetyloctahydro-6H-oxireno[2,3-g]indole-5,6-dicarboxylate](/api/spectrum/BvewoYxv5IE/structure.png?h=300&w=458 "(rac)-dibenzyl (1aS,3S,3aR,5S,6aR,6bR)-3-acetyloctahydro-6H-oxireno[2,3-g]indole-5,6-dicarboxylate")
