| SpectraBase Spectrum ID |
7w2wgT1Ah6n |
| Name |
(2S,3S)-2-(3,4-Dihydroxy-5-methoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O8 |
| InChI |
InChI=1S/C21H22O8/c1-25-16-6-12(5-15(22)19(16)23)4-14-13(9-27-21(14)24)3-11-7-17(26-2)20-18(8-11)28-10-29-20/h5-8,13-14,22-23H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1 |
| InChIKey |
LGXHPTUKHKWYCU-KGLIPLIRSA-N |
| Instrument Name |
JEOL JMS DX-303/JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050417o |
| Molecular Weight |
402.399 g/mol |
| Optical Rotation |
[a]D25 = +19.2 (c = 0.073, CHCl3) |
| Reported Formula |
C21H22O8 |
| SMILES |
Oc1c(cc(cc1O)C[C@@]1(C(OC[C@]1(Cc1cc2c(c(c1)OC)OCO2)[H])=O)[H])OC |
| SPLASH |
splash10-0gb9-0900100000-ca84bdd9c7c47f015b4b |
| Source of Spectrum |
G4-69-238-8 |
| Wiley ID |
1874088 |
