| SpectraBase Spectrum ID |
39mP2UJoECw |
| Name |
Benzoic acid, 3-(2-carboxy-5-methoxy-3-propylphenoxy)-6-hydroxy-2-pentyl-4-(phenylmethoxy)-, 1-methyl ester |
| CAS Registry Number |
113487-82-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H36O8 |
| InChI |
InChI=1S/C31H36O8/c1-5-7-9-15-23-28(31(35)37-4)24(32)18-26(38-19-20-13-10-8-11-14-20)29(23)39-25-17-22(36-3)16-21(12-6-2)27(25)30(33)34/h8,10-11,13-14,16-18,32H,5-7,9,12,15,19H2,1-4H3,(H,33,34) |
| InChIKey |
HUWIOYLTWHWJNB-UHFFFAOYSA-N |
| Molecular Weight |
536.621 g/mol |
| SMILES |
OC(c1c(Oc2c(c(c(cc2OCc2ccccc2)O)C(=O)OC)CCCCC)cc(cc1CCC)OC)=O |
| SPLASH |
splash10-0006-9000000000-4e24e8d30be9f2725bc4 |
| Source of Spectrum |
B-40-1462-35 |
| Synonyms |
2-(2'-Benzyloxy-4'-hydroxy-5'-methoxycarbonyl-6'-pentylphenoxy)-4-methoxy-6-propylbenzoic acid
2-[6-(benzyloxy)-4-hydroxy-3-(methoxycarbonyl)-2-pentylphenoxy]-4-methoxy-6-propylbenzoic acid |
| Wiley ID |
1404097 |
