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Benzoic acid, 2-heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-
SpectraBase Compound ID 8lkqmI4hDmU
InChI InChI=1S/C27H36O7/c1-4-6-8-9-11-13-18-15-21(17-22(28)24(18)26(30)31)34-27(32)25-19(12-10-7-5-2)14-20(33-3)16-23(25)29/h14-17,28-29H,4-13H2,1-3H3,(H,30,31)
InChIKey DFZZPAUFVUEAMV-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 JsNRHurIPHU
Name Benzoic acid, 2-heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-
CAS Registry Number 90332-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O7
InChI InChI=1S/C27H36O7/c1-4-6-8-9-11-13-18-15-21(17-22(28)24(18)26(30)31)34-27(32)25-19(12-10-7-5-2)14-20(33-3)16-23(25)29/h14-17,28-29H,4-13H2,1-3H3,(H,30,31)
InChIKey DFZZPAUFVUEAMV-UHFFFAOYSA-N
Molecular Weight 472.578 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCCCC)OC(c1c(cc(cc1CCCCC)OC)O)=O
SPLASH splash10-00di-0490000000-d7a02065e840647d668b
Source of Spectrum B-40-429-4
Synonyms 2-Heptyl-6-hydroxy-4-(2'-hydroxy-4'-methoxy-6'-pentylbenzoyloxy)benzoic acid hyperlatolic acid 2-Heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]benzoic acid Hyperlatolic acid
Wiley ID 1393401