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CONFLUENTINIC-ACID
SpectraBase Compound ID Lm4LmIFPU1e
InChI InChI=1S/C28H36O8/c1-5-7-9-11-18-14-22(17-24(35-4)26(18)27(31)32)36-28(33)25-19(13-20(29)12-10-8-6-2)15-21(34-3)16-23(25)30/h14-17,30H,5-13H2,1-4H3,(H,31,32)
InChIKey UANVCGQMNRTKGM-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C28H36O8
Exact Mass 500.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Eaw99pV1xo
Name Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 4-carboxy-3-methoxy-5-pentylphenyl ester
Alternate Name(s) 2-Amyl-4-[2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoyl]oxy-6-methoxy-benzoic acid 2-Methoxy-4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-6-pentyl-benzoic acid 4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-2-methoxy-6-pentylbenzoic acid Confluentic acid 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoic acid
CAS Registry Number 52213-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O8
InChI InChI=1S/C28H36O8/c1-5-7-9-11-18-14-22(17-24(35-4)26(18)27(31)32)36-28(33)25-19(13-20(29)12-10-8-6-2)15-21(34-3)16-23(25)30/h14-17,30H,5-13H2,1-4H3,(H,31,32)
InChIKey UANVCGQMNRTKGM-UHFFFAOYSA-N
Molecular Weight 500.588 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2CC(=O)CCCCC)OC)O)=O)cc1CCCCC)OC)=O
SPLASH splash10-03dr-0940000000-3153313594d53f699edf
Source of Spectrum B-31-1051-0
Wiley ID 1398884