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4-O-Methyloxocryptochlorophaeic acid
SpectraBase Compound ID 84KUZ6VHk6i
InChI InChI=1S/C26H32O9/c1-5-7-8-10-15-13-19(28)24(23(29)22(15)25(30)31)35-26(32)21-16(11-17(27)9-6-2)12-18(33-3)14-20(21)34-4/h12-14,28-29H,5-11H2,1-4H3,(H,30,31)
InChIKey HOAJEPZQWDLHFD-UHFFFAOYSA-N
Mol Weight 488.5 g/mol
Molecular Formula C26H32O9
Exact Mass 488.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ldcLMp1wEF
Name 4-O-Methyloxocryptochlorophaeic acid
Alternate Name(s) 3-[2,4-Dimethoxy-6-(2-oxo-pentyl)-benzoyloxy]-2,4-dihydroxy-6-pentyl-benzoic acid 3-{[2,4-dimethoxy-6-(2-oxopentyl)benzoyl]oxy}-2,4-dihydroxy-6-pentylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O9
InChI InChI=1S/C26H32O9/c1-5-7-8-10-15-13-19(28)24(23(29)22(15)25(30)31)35-26(32)21-16(11-17(27)9-6-2)12-18(33-3)14-20(21)34-4/h12-14,28-29H,5-11H2,1-4H3,(H,30,31)
InChIKey HOAJEPZQWDLHFD-UHFFFAOYSA-N
Molecular Weight 488.533 g/mol
SMILES Oc1c(c(c(C(=O)O)c(c1)CCCCC)O)OC(c1c(cc(cc1OC)OC)CC(=O)CCC)=O
SPLASH splash10-0002-0980000000-a10dfe38194da970b19c
Source of Spectrum JA-50-479-0
Wiley ID 1396866