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3-(2,4-dimethoxy-6-pentyl-phenyl)carbonyloxy-2,4-bis(oxidanyl)-6-pentyl-benzoic acid
SpectraBase Compound ID 4nJKhkpOPoK
InChI InChI=1S/C26H34O8/c1-5-7-9-11-16-13-18(32-3)15-20(33-4)21(16)26(31)34-24-19(27)14-17(12-10-8-6-2)22(23(24)28)25(29)30/h13-15,27-28H,5-12H2,1-4H3,(H,29,30)
InChIKey LWJWHWGMUBQMKG-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C26H34O8
Exact Mass 474.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZiJFKU6gla
Name 3-(2,4-dimethoxy-6-pentyl-phenyl)carbonyloxy-2,4-bis(oxidanyl)-6-pentyl-benzoic acid
Alternate Name(s) 3-[(2,4-dimethoxy-6-pentylphenyl)-oxomethoxy]-2,4-dihydroxy-6-pentylbenzoic acid 4-O-Methylcryptochlorophaeic acid 6-Amyl-3-(2-amyl-4,6-dimethoxy-benzoyl)oxy-2,4-dihydroxy-benzoic acid 3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid
CAS Registry Number 27587-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O8
InChI InChI=1S/C26H34O8/c1-5-7-9-11-16-13-18(32-3)15-20(33-4)21(16)26(31)34-24-19(27)14-17(12-10-8-6-2)22(23(24)28)25(29)30/h13-15,27-28H,5-12H2,1-4H3,(H,29,30)
InChIKey LWJWHWGMUBQMKG-UHFFFAOYSA-N
Molecular Weight 474.550 g/mol
SMILES Oc1c(c(c(C(=O)O)c(c1)CCCCC)O)OC(c1c(cc(cc1CCCCC)OC)OC)=O
SPLASH splash10-000l-9270000000-f6dd9cb0d38b980e9a13
Source of Spectrum B-28-411-0
Wiley ID 1393862