| SpectraBase Spectrum ID |
4X5p3MWxKmO |
| Name |
(2R,3S)-2-(4-Hydroxy-3,5-dimethoxybenzoyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O9 |
| InChI |
InChI=1S/C22H22O9/c1-26-14-7-12(8-15(27-2)20(14)24)19(23)18-13(9-29-22(18)25)4-11-5-16(28-3)21-17(6-11)30-10-31-21/h5-8,13,18,24H,4,9-10H2,1-3H3/t13-,18-/m1/s1 |
| InChIKey |
SBFWGSQTPPNJCO-FZKQIMNGSA-N |
| Instrument Name |
JEOL JMS DX-303/JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050417o |
| Molecular Weight |
430.409 g/mol |
| Optical Rotation |
[a]D25 = -58.2 (c = 0.067, CHCl3) |
| Reported Formula |
C22H22O9 |
| SMILES |
Oc1c(cc(C([C@@]2(C(OC[C@]2(Cc2cc3c(c(c2)OC)OCO3)[H])=O)[H])=O)cc1OC)OC |
| SPLASH |
splash10-029x-0900000000-cd68680dc3d0cc7ddfa8 |
| Source of Spectrum |
G4-69-238-11 |
| Wiley ID |
1874085 |
