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Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
SpectraBase Compound ID M6WzhQJoD
InChI InChI=1S/C27H36O7/c1-4-6-8-9-11-13-19-14-20(33-3)16-23(29)25(19)27(32)34-21-15-18(12-10-7-5-2)24(26(30)31)22(28)17-21/h14-17,28-29H,4-13H2,1-3H3,(H,30,31)
InChIKey GWAVKGWTGGHUSQ-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36O7
Exact Mass 472.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVGI4xJkZaa
Name Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
CAS Registry Number 90332-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O7
InChI InChI=1S/C27H36O7/c1-4-6-8-9-11-13-19-14-20(33-3)16-23(29)25(19)27(32)34-21-15-18(12-10-7-5-2)24(26(30)31)22(28)17-21/h14-17,28-29H,4-13H2,1-3H3,(H,30,31)
InChIKey GWAVKGWTGGHUSQ-UHFFFAOYSA-N
Molecular Weight 472.578 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1CCCCCCC)OC)O)=O
SPLASH splash10-0m5r-0920000000-b0c3b024e820c628dd41
Source of Spectrum B-40-429-5
Synonyms 4-(2'-Heptyl-4'-methoxy-6'-hydroxybenzoyloxy)-2-hydroxy-6-pentylbenzoic acid isohyperlatolic acid 4-[(2-heptyl-6-hydroxy-4-methoxybenzoyl)oxy]-2-hydroxy-6-pentylbenzoic acid Isohyperlatolic acid
Wiley ID 1393402