| SpectraBase Spectrum ID |
DIlfVRd05RP |
| Name |
Benzoic acid, 4,6-dihydroxy-3-[(7-hydroxy-6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran- 8-yl)oxy]-2-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
Benzyl 3-hydroxy-4-O-methylisophysodate
benzyl 4,6-dihydroxy-3-[(7-hydroxy-6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-pentylbenzoate |
| CAS Registry Number |
58887-75-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H38O9 |
| InChI |
InChI=1S/C34H38O9/c1-4-6-9-15-23-17-22-18-27(40-3)30(37)32(28(22)34(39)42-23)43-31-24(16-10-7-5-2)29(25(35)19-26(31)36)33(38)41-20-21-13-11-8-12-14-21/h8,11-14,17-19,35-37H,4-7,9-10,15-16,20H2,1-3H3 |
| InChIKey |
AQTRSOVHLQUVDP-UHFFFAOYSA-N |
| Molecular Weight |
590.669 g/mol |
| SMILES |
Oc1cc(c(c(c1Oc1c(c(cc2C=C(OC(c12)=O)CCCCC)OC)O)CCCCC)C(OCc1ccccc1)=O)O |
| SPLASH |
splash10-004i-0090030000-bc3fa1f6d015c27ec44c |
| Source of Spectrum |
B-29-206-0 |
| Wiley ID |
1409352 |
![Benzoic acid, 4,6-dihydroxy-3-[(7-hydroxy-6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran- 8-yl)oxy]-2-pentyl-, phenylmethyl ester](/api/spectrum/DIlfVRd05RP/structure.png?h=300&w=458 "Benzoic acid, 4,6-dihydroxy-3-[(7-hydroxy-6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran- 8-yl)oxy]-2-pentyl-, phenylmethyl ester")
