| SpectraBase Spectrum ID |
769Lj7Y6ViG |
| Name |
Benzoic acid, 6-hydroxy-3-[[2-hydroxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-4-methoxy-2-pentyl-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
640.303618369 u |
| Formula |
C39H44O8 |
| InChI |
InChI=1S/C39H44O8/c1-4-6-10-20-29-22-30(45-25-27-16-12-8-13-17-27)23-32(40)35(29)39(43)47-37-31(21-11-7-5-2)36(33(41)24-34(37)44-3)38(42)46-26-28-18-14-9-15-19-28/h8-9,12-19,22-24,40-41H,4-7,10-11,20-21,25-26H2,1-3H3 |
| InChIKey |
OVJAFPLQIZGPQA-UHFFFAOYSA-N |
| Molecular Weight |
640.773 g/mol |
| SMILES |
C=1(C(=C(OC(C=2C(=CC(=CC2CCCCC)OCC2=CC=CC=C2)O)=O)C(=CC1O)OC)CCCCC)C(OCC=1C=CC=CC1)=O |
![Benzoic acid, 6-hydroxy-3-[[2-hydroxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-4-methoxy-2-pentyl-, phenylmethyl ester](/api/spectrum/769Lj7Y6ViG/structure.png?h=300&w=458 "Benzoic acid, 6-hydroxy-3-[[2-hydroxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-4-methoxy-2-pentyl-, phenylmethyl ester")
