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CRYPTOCHLOROPHAEIC-ACID
SpectraBase Compound ID BQl8Hihdmdw
InChI InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-19(32-3)20(15)25(31)33-23-18(27)13-16(11-9-7-5-2)21(22(23)28)24(29)30/h12-14,26-28H,4-11H2,1-3H3,(H,29,30)
InChIKey LPYVRTMCNJPGMF-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C25H32O8
Exact Mass 460.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WSOmghVfue
Name Benzoic acid, 2,4-dihydroxy-3-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentyl-
CAS Registry Number 2948-07-4
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Formula C25H32O8
InChI InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-19(32-3)20(15)25(31)33-23-18(27)13-16(11-9-7-5-2)21(22(23)28)24(29)30/h12-14,26-28H,4-11H2,1-3H3,(H,29,30)
InChIKey LPYVRTMCNJPGMF-UHFFFAOYSA-N
Molecular Weight 460.523 g/mol
SMILES Oc1c(c(cc(c1OC(c1c(cc(cc1OC)O)CCCCC)=O)O)CCCCC)C(O)=O
SPLASH splash10-00du-4950000000-9da7d6e8da09244295e8
Source of Spectrum B-28-410-0
Synonyms 2,4-Dihydroxy-3-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentylbenzoic acid 2,4-Dihydroxy-3-[(4-hydroxy-2-methoxy-6-pentylphenyl)-oxomethoxy]-6-pentylbenzoic acid 3-(2-Methoxy-4-oxidanyl-6-pentyl-phenyl)carbonyloxy-2,4-bis(oxidanyl)-6-pentyl-benzoic acid 6-Amyl-3-(2-amyl-4-hydroxy-6-methoxy-benzoyl)oxy-2,4-dihydroxy-benzoic acid Cryptochlorophaeic acid Cryptochloropheic acid o-Anisic acid, 4-hydroxy-6-pentyl-, 3-ester with 2,3,4-trihydroxy-6-pentylbenzoic acid 2,4-Dihydroxy-3-(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
Wiley ID 1390474