| SpectraBase Spectrum ID |
HDEZ7kKHw5A |
| Name |
Benzoic acid, 2-heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-, phenylmethyl ester |
| CAS Registry Number |
111699-62-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H42O7 |
| InChI |
InChI=1S/C34H42O7/c1-4-6-8-9-14-18-26-20-28(22-30(36)31(26)33(37)40-23-24-15-12-10-13-16-24)41-34(38)32-25(17-11-7-5-2)19-27(39-3)21-29(32)35/h10,12-13,15-16,19-22,35-36H,4-9,11,14,17-18,23H2,1-3H3 |
| InChIKey |
NRCPALXGFVFISV-UHFFFAOYSA-N |
| Molecular Weight |
562.703 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCCCC |
| SPLASH |
splash10-0006-9000000000-77fb0d0e7799af97e99c |
| Source of Spectrum |
B-40-429-17 |
| Synonyms |
4-[(benzyloxy)carbonyl]-3-heptyl-5-hydroxyphenyl 2-hydroxy-4-methoxy-6-pentylbenzoate
Benyl 2-heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-benzoic acid ester |
| Wiley ID |
1406967 |
![Benzoic acid, 2-heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-, phenylmethyl ester](/api/spectrum/HDEZ7kKHw5A/structure.png?h=300&w=458 "Benzoic acid, 2-heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-, phenylmethyl ester")
