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Sekikaic acid
SpectraBase Compound ID CwvQrk2bO3b
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey CPHXGYQLOSNELY-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcmnQRQnv5i
Name 2-Hydroxy-3-[(2-hydroxy-4-methoxy-6-propylphenyl)-oxomethoxy]-4-methoxy-6-propylbenzoic acid
CAS Registry Number 607-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey CPHXGYQLOSNELY-UHFFFAOYSA-N
Molecular Weight 418.442 g/mol
SMILES Oc1c(C(Oc2c(c(c(cc2OC)CCC)C(=O)O)O)=O)c(cc(c1)OC)CCC
SPLASH splash10-0006-2920000000-e17dd023b3bdca260e5d
Source of Spectrum B-28-408-0
Synonyms 4-Methoxy-3-(4-methoxy-2-oxidanyl-6-propyl-phenyl)carbonyloxy-2-oxidanyl-6-propyl-benzoic acid 2-Hydroxy-3-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-propylbenzoic acid
Wiley ID 1377137