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HIASCIC-ACID
SpectraBase Compound ID IHfscQJPZja
InChI InChI=1S/C24H20O11/c1-9-4-12(6-14(25)18(9)22(30)31)34-23(32)19-10(2)5-13(7-15(19)26)35-24(33)20-11(3)21(29)17(28)8-16(20)27/h4-8,25-29H,1-3H3,(H,30,31)
InChIKey VWSTYXOKIIIEDE-UHFFFAOYSA-N
Mol Weight 484.41 g/mol
Molecular Formula C24H20O11
Exact Mass 484.100561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DakHK4bQoHv
Name Benzoic acid, 2-hydroxy-6-methyl-4-[(3,4,6-trihydroxy-2-methylbenzoyl)oxy]-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 537-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20O11
InChI InChI=1S/C24H20O11/c1-9-4-12(6-14(25)18(9)22(30)31)34-23(32)19-10(2)5-13(7-15(19)26)35-24(33)20-11(3)21(29)17(28)8-16(20)27/h4-8,25-29H,1-3H3,(H,30,31)
InChIKey VWSTYXOKIIIEDE-UHFFFAOYSA-N
Molecular Weight 484.413 g/mol
SMILES Oc1cc(OC(c2c(cc(c(c2C)O)O)O)=O)cc(c1C(Oc1cc(O)c(c(c1)C)C(=O)O)=O)C
SPLASH splash10-0v4l-9800000000-59138a0189e10d20a6fd
Source of Spectrum B-29-1086-0
Synonyms .beta.-resorcylic acid, 6-methyl-, 4-ester with 6-methyl-.beta.-resorcylic acid 4-(3,4,6-trihydroxy-O-toluate) 2-Hydroxy-4-({2-hydroxy-6-methyl-4-[(3,4,6-trihydroxy-2-methylbenzoyl)oxy]benzoyl}oxy)-6-methylbenzoic acid Hiascic acid Hiasicic acid 2-Hydroxy-4-[[2-hydroxy-6-methyl-4-[oxo-(3,4,6-trihydroxy-2-methylphenyl)methoxy]phenyl]-oxomethoxy]-6-methylbenzoic acid 2-Hydroxy-4-[2-hydroxy-6-methyl-4-(3,4,6-trihydroxy-2-methylbenzoyl)oxybenzoyl]oxy-6-methylbenzoic acid 2-Methyl-4-[2-methyl-4-[2-methyl-3,4,6-tris(oxidanyl)phenyl]carbonyloxy-6-oxidanyl-phenyl]carbonyloxy-6-oxidanyl-benzoic acid
Wiley ID 1395955