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Benzoic acid, 3-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
SpectraBase Compound ID GhxzJj7yLT
InChI InChI=1S/C23H28O8/c1-4-6-7-9-14-11-17(30-3)21(20(26)19(14)22(27)28)31-23(29)18-13(8-5-2)10-15(24)12-16(18)25/h10-12,24-26H,4-9H2,1-3H3,(H,27,28)
InChIKey CGFRYGDUDNEUQK-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C23H28O8
Exact Mass 432.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dXRQucxfdq
Name Benzoic acid, 3-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
CAS Registry Number 103538-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O8
InChI InChI=1S/C23H28O8/c1-4-6-7-9-14-11-17(30-3)21(20(26)19(14)22(27)28)31-23(29)18-13(8-5-2)10-15(24)12-16(18)25/h10-12,24-26H,4-9H2,1-3H3,(H,27,28)
InChIKey CGFRYGDUDNEUQK-UHFFFAOYSA-N
Molecular Weight 432.469 g/mol
SMILES Oc1cc(c(C(Oc2c(c(c(cc2OC)CCCCC)C(=O)O)O)=O)c(c1)CCC)O
SPLASH splash10-0ufr-0910000000-01f44c76de50b024f21a
Source of Spectrum B-39-231-7
Synonyms 1-Hydroxy-1-hydroxy-3-pentyl-5-methoxy-6-(2,4-dihydroxy-6-propyl-phenyl)-carbonyloxy)-benzene 3-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentylbenzoic acid 4'-O-methylnorhomosekikaic acid
Wiley ID 1382237