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2-Hydroxy-4-[2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoyl]oxy-6-(2-ketoheptyl)benzoic acid
SpectraBase Compound ID 8GNcwBM9RGp
InChI InChI=1S/C29H36O9/c1-4-6-8-10-20(30)12-18-15-23(17-24(32)26(18)28(34)35)38-29(36)27-19(13-21(31)11-9-7-5-2)14-22(37-3)16-25(27)33/h14-17,32-33H,4-13H2,1-3H3,(H,34,35)
InChIKey ZYBMBXGISAHLBW-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C29H36O9
Exact Mass 528.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9floIQYiovv
Name 2-Hydroxy-4-[2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoyl]oxy-6-(2-ketoheptyl)benzoic acid
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Formula C29H36O9
InChI InChI=1S/C29H36O9/c1-4-6-8-10-20(30)12-18-15-23(17-24(32)26(18)28(34)35)38-29(36)27-19(13-21(31)11-9-7-5-2)14-22(37-3)16-25(27)33/h14-17,32-33H,4-13H2,1-3H3,(H,34,35)
InChIKey ZYBMBXGISAHLBW-UHFFFAOYSA-N
Molecular Weight 528.598 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CC(=O)CCCCC)OC(c1c(cc(cc1O)OC)CC(=O)CCCCC)=O
SPLASH splash10-0229-3910000000-25fb4ef7ca5f42c3029a
Source of Spectrum B-50-485-42
Synonyms 2-Hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-6-(2-oxoheptyl)benzoic acid 4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoic acid
Wiley ID 745662