| SpectraBase Spectrum ID |
KHbZSC01j6C |
| Name |
(1S*,2R*,3R*,4S*)-2,3-bis(Hydroxymethyl)-1-[3,4-(methylenedioxy)phenyl]-4-(3,4-dimethoxyphenyl)butane-1,4-diol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.162767789 u |
| Formula |
C21H26O8 |
| InChI |
InChI=1S/C21H26O8/c1-26-16-5-3-12(7-18(16)27-2)20(24)14(9-22)15(10-23)21(25)13-4-6-17-19(8-13)29-11-28-17/h3-8,14-15,20-25H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1 |
| InChIKey |
NQKWXDSGKFGHTM-VUEDXXQZSA-N |
| Molecular Weight |
406.431 g/mol |
| SMILES |
[C@@]([C@@]([C@@](C=1C=C(OC)C(=CC1)OC)(O)[H])(CO)[H])([C@@](C=1C=C2OCOC2=CC1)(O)[H])(CO)[H] |
![(1S*,2R*,3R*,4S*)-2,3-Bis(hydroxymethyl)-1-[3,4-(methylenedioxy)phenyl]-4-(3,4-dimethoxyphenyl)butane-1,4-diol](/api/spectrum/KHbZSC01j6C/structure.png?h=300&w=458 "(1S*,2R*,3R*,4S*)-2,3-Bis(hydroxymethyl)-1-[3,4-(methylenedioxy)phenyl]-4-(3,4-dimethoxyphenyl)butane-1,4-diol")
