| SpectraBase Spectrum ID |
H9Rwpr6x0Lm |
| Name |
(rac)-1-Benzyl 4-ethyl 2-methyl (2S,3aR,4S,7R,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 |
435.189316890 u |
| Formula |
C22H29NO8 |
| InChI |
InChI=1S/C22H29NO8/c1-4-30-20(25)15-11-17(28-2)19(24)18-14(15)10-16(21(26)29-3)23(18)22(27)31-12-13-8-6-5-7-9-13/h5-9,14-19,24H,4,10-12H2,1-3H3/t14-,15+,16+,17?,18-,19+/m1/s1 |
| InChIKey |
UMMLAMWCOFLHJM-DRPWXMPVSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
435.473 g/mol |
| Quality |
134 |
| Reported Formula |
C22H29NO8 |
| SMILES |
O[C@@]1([C@]2([C@@]([C@](CC1OC)(C(=O)OCC)[H])(C[C@@](C(=O)OC)(N2C(=O)OCC1=CC=CC=C1)[H])[H])[H])[H] |
| SPLASH |
splash10-0udl-8119600000-7a1ccf35ca080dd7783c |
| Source of Spectrum |
QE-21-SM46-61 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.23 (cHex/EtOAc, 2:1) |
| Wiley ID |
1906912 |
