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isopatagonic acid
SpectraBase Compound ID AQVhtvmPq5o
InChI InChI=1S/C25H30O8/c1-4-5-6-7-8-9-17(26)11-16-12-18(32-3)13-21(28)23(16)25(31)33-19-10-15(2)22(24(29)30)20(27)14-19/h10,12-14,27-28H,4-9,11H2,1-3H3,(H,29,30)
InChIKey JUIOTWRVPCTDBX-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C25H30O8
Exact Mass 458.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSfuAKuuJXf
Name isopatagonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-4-5-6-7-8-9-17(26)11-16-12-18(32-3)13-21(28)23(16)25(31)33-19-10-15(2)22(24(29)30)20(27)14-19/h10,12-14,27-28H,4-9,11H2,1-3H3,(H,29,30)
InChIKey JUIOTWRVPCTDBX-UHFFFAOYSA-N
Molecular Weight 458.507 g/mol
SMILES Oc1cc(cc(c1C(=O)O)C)OC(c1c(cc(cc1O)OC)CC(=O)CCCCCCC)=O
SPLASH splash10-0bt9-6920000000-0a6b82f41aa8d5b7b451
Source of Spectrum B-47-1335-0
Synonyms 2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxononyl)benzoyl]oxy}-6-methylbenzoic acid
Wiley ID 1389868