SpectraBase Spectrum ID |
Cn9PpiNQWQM |
Name |
Benzoic acid, 2-hydroxy-4-[[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy]-3,6-dimethyl- |
Alternate Name(s) |
2-Hydroxy-4-{[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy}-3,6-dimethylbenzoic acid
2-O-methyl-3.alpha.-hydroxybarbatic acid |
CAS Registry Number |
112899-33-9 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H22O8 |
InChI |
InChI=1S/C20H22O8/c1-9-6-13(11(3)17(22)15(9)19(23)24)28-20(25)16-10(2)7-14(26-4)12(8-21)18(16)27-5/h6-7,21-22H,8H2,1-5H3,(H,23,24) |
InChIKey |
JCGQYFWURNBHOJ-UHFFFAOYSA-N |
Molecular Weight |
390.388 g/mol |
SMILES |
Oc1c(c(cc(c1C(=O)O)C)OC(c1c(c(CO)c(cc1C)OC)OC)=O)C |
SPLASH |
splash10-0a4i-0190000000-e8a5e4acee73e191971d |
Source of Spectrum |
B-42-1197-16 |
Wiley ID |
1364714 |