| SpectraBase Spectrum ID |
8LTKMNLk7oZ |
| Name |
(2R,3R)-2-(1,3-Benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.183503235 u |
| Formula |
C22H28O7 |
| InChI |
InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3/t16-,17-/m0/s1 |
| InChIKey |
FDHFWHRGVDRJIK-IRXDYDNUSA-N |
| Molecular Weight |
404.459 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)C[C@]([C@@](CC1=CC=2OCOC2C=C1)(CO)[H])(CO)[H])OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982715 |
![(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol](/api/spectrum/8LTKMNLk7oZ/structure.png?h=300&w=458 "(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol")
