| SpectraBase Spectrum ID |
1zcSRu66g3V |
| Name |
(rac)-Dibenzyl (2S,3aS,4S,6S,7R,7aR)-4-acetoxy-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 |
497.204966954 u |
| Formula |
C27H31NO8 |
| InChI |
InChI=1S/C27H31NO8/c1-17(29)36-22-14-23(33-2)25(30)24-20(22)13-21(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 |
JHSGMMLPAAFATE-UJXAWSPFSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
497.544 g/mol |
| Quality |
77 |
| Reported Formula |
C27H31NO8 |
| SMILES |
O[C@@]1([C@]2([C@@]([C@](C[C@@]1(OC)[H])(OC(C)=O)[H])(C[C@](N2C(=O)OCC1=CC=CC=C1)(C(=O)OCC=1C=CC=CC1)[H])[H])[H])[H] |
| SPLASH |
splash10-02tc-3009200000-c1715ec393ce98e1445e |
| Source of Spectrum |
QE-21-SM30-42 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.21 (cHex/EtOAc, 1:1) |
| Wiley ID |
1906906 |
