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Benzoic acid, 2,4-dihydroxy-6-(2-oxoheptyl)-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
SpectraBase Compound ID BPAqpQg34o8
InChI InChI=1S/C26H32O8/c1-3-5-7-9-16-13-20(15-22(30)23(16)25(31)32)34-26(33)24-17(12-19(28)14-21(24)29)11-18(27)10-8-6-4-2/h12-15,28-30H,3-11H2,1-2H3,(H,31,32)
InChIKey VZPLPGICHZXOCQ-UHFFFAOYSA-N
Mol Weight 472.5 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WrS4zl1S2O
Name Benzoic acid, 2,4-dihydroxy-6-(2-oxoheptyl)-, 4-carboxy-3-hydroxy-5-pentylphenyl ester
CAS Registry Number 491-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O8
InChI InChI=1S/C26H32O8/c1-3-5-7-9-16-13-20(15-22(30)23(16)25(31)32)34-26(33)24-17(12-19(28)14-21(24)29)11-18(27)10-8-6-4-2/h12-15,28-30H,3-11H2,1-2H3,(H,31,32)
InChIKey VZPLPGICHZXOCQ-UHFFFAOYSA-N
Molecular Weight 472.534 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2O)O)CC(CCCCC)=O)=O)cc1O)CCCCC)=O
SPLASH splash10-0g4l-7910000000-f8bf7a2cf4710febf1ea
Source of Spectrum SD-1981-0-0
Synonyms 4-([2,4-Dihydroxy-6-(2-oxoheptyl)benzoyl]oxy)-2-hydroxy-6-pentylbenzoic acid .beta.-Resorcylic acid, 6-(2-oxoheptyl)-, 4-carboxy-3-hydroxy-5-pentylphenyl ester 2-Amyl-4-[2,4-dihydroxy-6-(2-ketoheptyl)benzoyl]oxy-6-hydroxy-benzoic acid 4-[2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid 4-[[2,4-dihydroxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-2-hydroxy-6-pentylbenzoic acid Olivetoric acid 4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyl]oxy-2-hydroxy-6-pentylbenzoic acid
Wiley ID 1393354