| SpectraBase Spectrum ID |
D7JHGF2FGsv |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-2-pentyl-4-(phenylmethoxy)- |
| CAS Registry Number |
113500-97-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H34O8 |
| InChI |
InChI=1S/C30H34O8/c1-4-6-8-14-22-27(30(34)35)23(31)17-25(37-18-19-12-9-7-10-13-19)28(22)38-24-16-21(36-3)15-20(11-5-2)26(24)29(32)33/h7,9-10,12-13,15-17,31H,4-6,8,11,14,18H2,1-3H3,(H,32,33)(H,34,35) |
| InChIKey |
CVGZTHIRZKFEGU-UHFFFAOYSA-N |
| Molecular Weight |
522.594 g/mol |
| SMILES |
OC(c1c(Oc2c(c(C(=O)O)c(cc2OCc2ccccc2)O)CCCCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-0006-9000000000-b0511d61b636d96a326e |
| Source of Spectrum |
B-40-1462-37 |
| Synonyms |
2-(2'-Benzyloxy-5'-carboxy-4'-hydroxy-6'-pentylphenoxy)-4-methoxy-6-propylbenzoic acid
4-(benzyloxy)-3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-2-pentylbenzoic acid |
| Wiley ID |
1402287 |
