| SpectraBase Spectrum ID |
EMLtbGZoOLq |
| Name |
(3R)-3-Methyl-3-(6-O-caffeoyl-.beta.,D-glucopyranosyloxy)pentan-5-olide |
| Alternate Name(s) |
(4R)-4-methyl-2-oxotetrahydro-2H-pyran-4-yl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-.beta.-D-glucopyranoside |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O11 |
| InChI |
InChI=1S/C21H26O11/c1-21(6-7-29-16(25)9-21)32-20-19(28)18(27)17(26)14(31-20)10-30-15(24)5-3-11-2-4-12(22)13(23)8-11/h2-5,8,14,17-20,22-23,26-28H,6-7,9-10H2,1H3/b5-3+/t14-,17-,18+,19-,20+,21-/m1/s1 |
| InChIKey |
PYDUQMXQNFLKOG-COJWFKBWSA-N |
| Molecular Weight |
454.428 g/mol |
| SMILES |
O[C@]1([C@@]([C@@](COC(\C=C\c2ccc(c(c2)O)O)=O)(O[C@]([C@@]1(O)[H])(O[C@]1(CC(=O)OCC1)C)[H])[H])(O)[H])[H] |
| SPLASH |
splash10-001i-9100000000-273aeab62eb57cd6e422 |
| Source of Spectrum |
E1-37-830-1 |
| Wiley ID |
1517663 |
