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2'-O-methylsuperphyllinic acid
SpectraBase Compound ID EHJwD6z8hr3
InChI InChI=1S/C34H46O9/c1-5-7-9-11-13-15-25(35)17-23-19-27(37)21-29(41-3)32(23)34(40)43-28-20-24(31(33(38)39)30(22-28)42-4)18-26(36)16-14-12-10-8-6-2/h19-22,37H,5-18H2,1-4H3,(H,38,39)
InChIKey UDXBFICIKHNXGL-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C34H46O9
Exact Mass 598.314183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXy19Z6iiUh
Name 2'-O-methylsuperphyllinic acid
Alternate Name(s) glaucophaeic acid 4-{[4-hydroxy-2-methoxy-6-(2-oxononyl)benzoyl]oxy}-2-methoxy-6-(2-oxononyl)benzoic acid
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Formula C34H46O9
InChI InChI=1S/C34H46O9/c1-5-7-9-11-13-15-25(35)17-23-19-27(37)21-29(41-3)32(23)34(40)43-28-20-24(31(33(38)39)30(22-28)42-4)18-26(36)16-14-12-10-8-6-2/h19-22,37H,5-18H2,1-4H3,(H,38,39)
InChIKey UDXBFICIKHNXGL-UHFFFAOYSA-N
Molecular Weight 598.733 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2CC(=O)CCCCCCC)O)OC)=O)cc1CC(=O)CCCCCCC)OC)=O
SPLASH splash10-0a4i-9620000000-47b39800c57f6737bcc6
Source of Spectrum JA-49-917-0
Wiley ID 1409974