| SpectraBase Spectrum ID |
Em9ruS9LAEl |
| Name |
(2S,4R)-5,6,7-Trimethoxyflavan-4-ol |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-8,10,12-13,19H,9H2,1-3H3/t12-,13+/m1/s1 |
| InChIKey |
DZPHJRLNLJWYER-OLZOCXBDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900341f |
| Molecular Weight |
316.353 g/mol |
| Optical Rotation |
[a]D20 = +10.4 (c = 0.3, CHCl3) |
| Reported Formula |
C18H20O5 |
| SMILES |
O[C@@]1(C[C@](Oc2cc(c(c(c12)OC)OC)OC)(c1ccccc1)[H])[H] |
| SPLASH |
splash10-00kb-2792000000-ce9151208461e8665f2e |
| Source of Spectrum |
G4-72-2133-1 |
| Wiley ID |
1872109 |
