| SpectraBase Spectrum ID |
FtYvMDcObNC |
| Name |
(rac)-dibenzyl (2S,3aR,4S,6S,7R,7aR)-4-acetyl-7-hydroxy-6-methoxyoctahydro-1H-indole-1,2-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.210052335 u |
| Formula |
C27H31NO7 |
| InChI |
InChI=1S/C27H31NO7/c1-17(29)20-14-23(33-2)25(30)24-21(20)13-22(26(31)34-15-18-9-5-3-6-10-18)28(24)27(32)35-16-19-11-7-4-8-12-19/h3-12,20-25,30H,13-16H2,1-2H3/t20-,21-,22+,23+,24-,25+/m1/s1 |
| InChIKey |
CZGKVXCXVXQJPV-LUXCBIKGSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
481.545 g/mol |
| Quality |
42 |
| Reported Formula |
C27H31NO7 |
| SMILES |
O[C@@]1([C@]2([C@@]([C@](C[C@@]1(OC)[H])(C(=O)C)[H])(C[C@](N2C(=O)OCC1=CC=CC=C1)(C(=O)OCC=1C=CC=CC1)[H])[H])[H])[H] |
| SPLASH |
splash10-001i-9000000000-a7bae8a549d0857934a4 |
| Source of Spectrum |
QE-21-SM29-41 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.13 (cHex/EtOAc, 1:1) |
| Wiley ID |
1906905 |
