| SpectraBase Spectrum ID |
JsikgGwCka8 |
| Name |
Benzoic acid, 6-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-2-pentyl-4-(phenylmethoxy)-, methyl ester |
| CAS Registry Number |
113487-80-2 |
| 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(30(34)37-4)25(33)18-26(38-19-20-13-10-8-11-14-20)29(23)39-31(35)27-21(12-6-2)16-22(36-3)17-24(27)32/h8,10-11,13-14,16-18,32-33H,5-7,9,12,15,19H2,1-4H3 |
| InChIKey |
OKAHUXFPZALRDG-UHFFFAOYSA-N |
| Molecular Weight |
536.621 g/mol |
| SMILES |
Oc1c(C(Oc2c(c(c(cc2OCc2ccccc2)O)C(=O)OC)CCCCC)=O)c(cc(c1)OC)CCC |
| SPLASH |
splash10-0006-0900010000-7ff7389c8f72535347fc |
| Source of Spectrum |
B-40-1461-33 |
| Synonyms |
methyl 4-(benzyloxy)-6-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-2-pentylbenzoate
Methyl 4-benzyloxy-3-[2'-hydroxy-4'-methoxy-6'-propylbenzoyloxy)-6-hydroxy-2-pentylbenzoate |
| Wiley ID |
1404096 |
![Benzoic acid, 6-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-2-pentyl-4-(phenylmethoxy)-, methyl ester](/api/spectrum/JsikgGwCka8/structure.png?h=300&w=458 "Benzoic acid, 6-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-2-pentyl-4-(phenylmethoxy)-, methyl ester")
