| SpectraBase Spectrum ID |
BKORZGJdp6s |
| Name |
Benzoic acid, 3-[(2,3,4,6-tetra-o-acetylhexopyranosyl)oxy]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.142426265 u |
| Formula |
C22H26O12 |
| InChI |
InChI=1S/C22H26O12/c1-11(23)29-10-17-18(30-12(2)24)19(31-13(3)25)20(32-14(4)26)22(34-17)33-16-8-6-7-15(9-16)21(27)28-5/h6-9,17-20,22H,10H2,1-5H3/t17-,18-,19+,20-,22-/m1/s1 |
| InChIKey |
AGQYUQJWDJDTHF-OUUKCGNVSA-N |
| Molecular Weight |
482.438 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(OC=1C=C(C(=O)OC)C=CC1)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
![Benzoic acid, 3-[(2,3,4,6-tetra-o-acetylhexopyranosyl)oxy]-, methyl ester](/api/spectrum/BKORZGJdp6s/structure.png?h=300&w=458 "Benzoic acid, 3-[(2,3,4,6-tetra-o-acetylhexopyranosyl)oxy]-, methyl ester")
