| SpectraBase Spectrum ID |
8dK10ReRdIN |
| Name |
(2S,3S)-2-(5-Methoxy-3,4-methylenedioxybenzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34O10 |
| InChI |
InChI=1S/C27H34O10/c1-16(28)34-13-20(7-18-9-22(30-3)26(33-6)23(10-18)31-4)21(14-35-17(2)29)8-19-11-24(32-5)27-25(12-19)36-15-37-27/h9-12,20-21H,7-8,13-15H2,1-6H3/t20-,21-/m1/s1 |
| InChIKey |
GDCMUMBNRKFFLI-NHCUHLMSSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030247k |
| Molecular Weight |
518.559 g/mol |
| Optical Rotation |
[a]D25 = +19.8 (c = 0.313, CHCl3) |
| Reported Formula |
C27H34O10 |
| SMILES |
c12OCOc2c(cc(C[C@@]([C@](Cc2cc(c(c(c2)OC)OC)OC)(COC(C)=O)[H])(COC(C)=O)[H])c1)OC |
| SPLASH |
splash10-0159-0900050000-0a8cc684ae93224e3d8e |
| Source of Spectrum |
G4-66-1425-6 |
| Wiley ID |
1883915 |
