| SpectraBase Spectrum ID |
EpsRfK0km2c |
| Name |
(1S*,2S*,3S*)-1-(3-Methoxy-4-benzyloxybenzyl)-2,3-bis(hydroxymethyl)-3-hydroxy-6-methoxy-7-benzyloxytetralin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.261753557 u |
| Formula |
C35H38O7 |
| InChI |
InChI=1S/C35H38O7/c1-39-32-16-26(13-14-31(32)41-21-24-9-5-3-6-10-24)15-29-28-18-34(42-22-25-11-7-4-8-12-25)33(40-2)17-27(28)19-35(38,23-37)30(29)20-36/h3-14,16-18,29-30,36-38H,15,19-23H2,1-2H3/t29-,30-,35-/m1/s1 |
| InChIKey |
KRBKXOTWSAQASH-WAINPOFTSA-N |
| Molecular Weight |
570.682 g/mol |
| Nominal Mass |
570 u |
| SMILES |
COC=1C=C(C[C@]2([C@]([C@](CC3=CC(=C(C=C23)OCC2=CC=CC=C2)OC)(O)CO)(CO)[H])[H])C=CC1OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871792 |
