| SpectraBase Spectrum ID |
7uMZi1qIode |
| Name |
(3R)-3-Methyl-3-(6-O-caffeoyl-.beta.,D-glucopyranosyloxy)pentan-5-olide pentaacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H36O16 |
| InChI |
InChI=1S/C31H36O16/c1-16(32)41-22-9-7-21(13-23(22)42-17(2)33)8-10-25(37)40-15-24-27(43-18(3)34)28(44-19(4)35)29(45-20(5)36)30(46-24)47-31(6)11-12-39-26(38)14-31/h7-10,13,24,27-30H,11-12,14-15H2,1-6H3/b10-8+/t24-,27-,28+,29-,30+,31-/m1/s1 |
| InChIKey |
BFOGKVUMIOUWTQ-TYGCSKKWSA-N |
| Molecular Weight |
664.613 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(O[C@]1(CC(OCC1)=O)C)[H])(COC(\C=C\c1cc(c(OC(=O)C)cc1)OC(=O)C)=O)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-08gl-5952100000-0de75a2882e5e11bf9aa |
| Source of Spectrum |
E1-37-830-1 |
| Synonyms |
[3,4,5-tris(acetyloxy)-6-{[(4R)-4-methyl-2-oxooxan-4-yl]oxy}oxan-2-yl]methyl (2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoate |
| Wiley ID |
1517662 |
