| SpectraBase Spectrum ID |
EHX7Tb6k6ax |
| Name |
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, (4-formyl-3,5-dihydroxyphenyl)methyl ester |
| Alternate Name(s) |
(Barbatolin)
4-Formyl-3,5-dihydroxybenzyl 3-formyl-2,4-dihydroxy-6-methylbenzoate |
| CAS Registry Number |
114973-13-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14O8 |
| InChI |
InChI=1S/C17H14O8/c1-8-2-12(20)11(6-19)16(23)15(8)17(24)25-7-9-3-13(21)10(5-18)14(22)4-9/h2-6,20-23H,7H2,1H3 |
| InChIKey |
UMUVVQVTFYMPPV-UHFFFAOYSA-N |
| Molecular Weight |
346.291 g/mol |
| SMILES |
Oc1c(c(c(C(OCc2cc(c(c(c2)O)C=O)O)=O)c(c1)C)O)C=O |
| SPLASH |
splash10-0002-0309000000-f833a5153cf9e7fc552a |
| Source of Spectrum |
B-40-1849-6 |
| Wiley ID |
1339067 |
