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4-O-METHYL-GYROPHORIC-ACID
SpectraBase Compound ID JepM0km2ftb
InChI InChI=1S/C25H22O10/c1-11-6-15(9-17(26)20(11)23(29)30)34-25(32)22-13(3)7-16(10-19(22)28)35-24(31)21-12(2)5-14(33-4)8-18(21)27/h5-10,26-28H,1-4H3,(H,29,30)
InChIKey HOBYJDBWEPWNOO-UHFFFAOYSA-N
Mol Weight 482.44 g/mol
Molecular Formula C25H22O10
Exact Mass 482.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YHVE0venCp
Name 2-Hydroxy-4-[[2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-6-methylphenyl]-oxomethoxy]-6-methylbenzoic acid
CAS Registry Number 23437-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O10
InChI InChI=1S/C25H22O10/c1-11-6-15(9-17(26)20(11)23(29)30)34-25(32)22-13(3)7-16(10-19(22)28)35-24(31)21-12(2)5-14(33-4)8-18(21)27/h5-10,26-28H,1-4H3,(H,29,30)
InChIKey HOBYJDBWEPWNOO-UHFFFAOYSA-N
Molecular Weight 482.441 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2C)OC(c2c(cc(cc2C)OC)O)=O)O)=O)cc(c1C(=O)O)C
SPLASH splash10-0gbo-5900000000-8ca734888195e50b6af2
Source of Spectrum B-29-1085-0
Synonyms 4-[4-(4-methoxy-2-methyl-6-oxidanyl-phenyl)carbonyloxy-2-methyl-6-oxidanyl-phenyl]carbonyloxy-2-methyl-6-oxidanyl-benzoic acid 2-Hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoic acid
Wiley ID 1395575