For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Hydroxy-4-O-methylgyrophoric acid
SpectraBase Compound ID 8RsmaM6jWqE
InChI InChI=1S/C25H22O11/c1-10-5-13(8-15(26)18(10)23(30)31)35-24(32)19-11(2)6-14(9-16(19)27)36-25(33)20-12(3)7-17(34-4)21(28)22(20)29/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey ZKENEXVYTKDRBO-UHFFFAOYSA-N
Mol Weight 498.44 g/mol
Molecular Formula C25H22O11
Exact Mass 498.116212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7z7DUnEQAq
Name 3-Hydroxy-4-O-methylgyrophoric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O11
InChI InChI=1S/C25H22O11/c1-10-5-13(8-15(26)18(10)23(30)31)35-24(32)19-11(2)6-14(9-16(19)27)36-25(33)20-12(3)7-17(34-4)21(28)22(20)29/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey ZKENEXVYTKDRBO-UHFFFAOYSA-N
Molecular Weight 498.440 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(C(=O)O)c(c1)O)C)=O)C)OC(c1c(c(O)c(cc1C)OC)O)=O
SPLASH splash10-00di-0900000000-a2826e4f7d44c8c8f0ef
Source of Spectrum B-51-1048-16
Synonyms 4-({4-[(2,3-dihydroxy-4-methoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoyl}oxy)-2-hydroxy-6-methylbenzoic acid
Wiley ID 745874