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2''-O-methylgyrophoric acid
SpectraBase Compound ID HYG5BYoGBrt
InChI InChI=1S/C25H22O10/c1-11-5-14(26)8-17(27)20(11)24(31)34-15-6-12(2)21(18(28)9-15)25(32)35-16-7-13(3)22(23(29)30)19(10-16)33-4/h5-10,26-28H,1-4H3,(H,29,30)
InChIKey MWIVEDXGNCCAQA-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 KpVx16bsJW1
Name 2''-O-methylgyrophoric acid
Alternate Name(s) 2''-O-methylgyrophoric acid 4-({4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoyl}oxy)-2-methoxy-6-methylbenzoic acid
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Formula C25H22O10
InChI InChI=1S/C25H22O10/c1-11-5-14(26)8-17(27)20(11)24(31)34-15-6-12(2)21(18(28)9-15)25(32)35-16-7-13(3)22(23(29)30)19(10-16)33-4/h5-10,26-28H,1-4H3,(H,29,30)
InChIKey MWIVEDXGNCCAQA-UHFFFAOYSA-N
Molecular Weight 482.441 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2C)O)O)=O)cc(c1C(Oc1cc(OC)c(c(c1)C)C(=O)O)=O)C
SPLASH splash10-0j5a-0901000000-7b82236281a201e9a90a
Source of Spectrum B-48-1761-0
Wiley ID 1395579