| SpectraBase Spectrum ID |
4QNYuUmqz9R |
| Name |
1,5-Anhydro-2,3-dideoxy-D-erythrohexitol 5-(3,4-dimethoxy-5-hydroxybenzoate)-6-(3,4-dimethoxy-4-acetoxy-5-oxobenzoate) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O13 |
| InChI |
InChI=1S/C26H30O13/c1-14(27)39-26(35-5)21(29)11-16(12-22(26)33-3)24(30)37-13-20-18(7-6-8-36-20)38-25(31)15-9-17(28)23(34-4)19(10-15)32-2/h9-12,18,20,28H,6-8,13H2,1-5H3/t18-,20+,26?/m0/s1 |
| InChIKey |
BHTIWKHPHJZYNE-OWFVSNTBSA-N |
| Molecular Weight |
550.513 g/mol |
| SMILES |
Oc1cc(C(O[C@@]2([C@@](COC(C3=CC(C(C(=C3)OC)(OC(=O)C)OC)=O)=O)(OCCC2)[H])[H])=O)cc(c1OC)OC |
| SPLASH |
splash10-0006-0000900000-12739ea563c51b60ab2e |
| Source of Spectrum |
C-116-3363-14 |
| Synonyms |
1,5-Anhydro-2,3-dideoxy-D-erythro-hexitol 2-hydro-3,4-dimethylphenyl-6-carboxylate 2'-oxo-3,4-dimethoxy-3'-acetoxyphenyl-6'-carboxylate |
| Wiley ID |
758428 |
