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GLOMELLIFERINIC-ACID
SpectraBase Compound ID 4cZnCpqUrrx
InChI InChI=1S/C25H30O8/c1-4-6-7-9-15-11-19(14-20(27)22(15)24(29)30)33-25(31)23-16(10-17(26)8-5-2)12-18(32-3)13-21(23)28/h11-14,27-28H,4-10H2,1-3H3,(H,29,30)
InChIKey PKLMGLZTAHCGBQ-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 Kdc4OAhGpf3
Name .beta.-Resorcylic acid, 6-pentyl-, 4-[2-hydroxy-6-(2-oxopentyl)-p-anisate]
Alternate Name(s) Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-pentyl- 2-Hydroxy-4-{[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy}-6-pentylbenzoic acid 2-Pentyl-4-(4'-methoxy-6'-(propylcarbonylmethyl)-2'-hydroxybenzoyloxy)-6-hydroxybenzoic acid 2-Pentyl-4-(6'-(propylcarbonylmethyl)-2',4'-dihydroxybenzoyloxy)-6-hydroxybenzoic acid 4-O-demethylglomelliferic acid Glomelliferic acid
CAS Registry Number 552-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O8
InChI InChI=1S/C25H30O8/c1-4-6-7-9-15-11-19(14-20(27)22(15)24(29)30)33-25(31)23-16(10-17(26)8-5-2)12-18(32-3)13-21(23)28/h11-14,27-28H,4-10H2,1-3H3,(H,29,30)
InChIKey PKLMGLZTAHCGBQ-UHFFFAOYSA-N
Molecular Weight 458.507 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCC)OC(c1c(cc(cc1O)OC)CC(=O)CCC)=O
SPLASH splash10-00di-2920000000-e834a76815c5d6b29abf
Source of Spectrum B-42-1981-4
Wiley ID 1389865