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5-O-acetyl-4-O-methylhiascic acid
SpectraBase Compound ID FvETR9sNxyk
InChI InChI=1S/C27H24O12/c1-11-6-15(8-17(29)21(11)25(32)33)38-26(34)22-12(2)7-16(9-18(22)30)39-27(35)23-13(3)24(37-14(4)28)20(36-5)10-19(23)31/h6-10,29-31H,1-5H3,(H,32,33)
InChIKey DBUVVDGHGIMIPA-UHFFFAOYSA-N
Mol Weight 540.48 g/mol
Molecular Formula C27H24O12
Exact Mass 540.126776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f9OC5fWToc
Name 5-O-acetyl-4-O-methylhiascic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24O12
InChI InChI=1S/C27H24O12/c1-11-6-15(8-17(29)21(11)25(32)33)38-26(34)22-12(2)7-16(9-18(22)30)39-27(35)23-13(3)24(37-14(4)28)20(36-5)10-19(23)31/h6-10,29-31H,1-5H3,(H,32,33)
InChIKey DBUVVDGHGIMIPA-UHFFFAOYSA-N
Molecular Weight 540.477 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(OC(=O)C)c(cc1O)OC)C)=O
SPLASH splash10-0ukc-3900000000-090160538047ace70cd1
Source of Spectrum B-44-157-0
Synonyms 4-[(4-{[3-(acetyloxy)-6-hydroxy-4-methoxy-2-methylbenzoyl]oxy}-2-hydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid
Wiley ID 1404610