| SpectraBase Spectrum ID |
3eDLggv2yGt |
| Name |
(2S,3S)-2-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(3,4-methylenedioxybenzyl)butyrolactone |
| Appearance |
Pale yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-24-18-8-13(9-19(25-2)20(18)22)6-15-14(10-26-21(15)23)5-12-3-4-16-17(7-12)28-11-27-16/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey |
DZBHCHXEAGTVGF-CABCVRRESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030247k |
| Molecular Weight |
386.400 g/mol |
| Optical Rotation |
[a]D25 = +34.8 (c = 0.253, CHCl3) |
| Reported Formula |
C21H22O7 |
| SMILES |
Oc1c(cc(C[C@]2([C@](Cc3ccc4OCOc4c3)(COC2=O)[H])[H])cc1OC)OC |
| SPLASH |
splash10-00kr-0906000000-2c6418c292f93a7ec4cd |
| Source of Spectrum |
G4-66-1425-5 |
| Wiley ID |
1883914 |
