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Benzoic acid, 3-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
SpectraBase Compound ID AwLK3pKPibn
InChI InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-18(27)20(15)25(31)33-23-19(32-3)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 VDWHFUXNOBJNSW-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 KGSrCDgm6Y1
Name Benzoic acid, 3-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentyl-
Alternate Name(s) 1-Hydroxy-2-benzyloxycarbonyl-3-pentyl-5-methoxy-6-((2,4-dibenzyloxy-6-pentyl-phenyl)carbonyloxy)-benzene 3-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-pentylbenzoic acid 4'-O-methylnorcryptochlorophaeic acid
CAS Registry Number 104847-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O8
InChI InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-18(27)20(15)25(31)33-23-19(32-3)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 VDWHFUXNOBJNSW-UHFFFAOYSA-N
Molecular Weight 460.523 g/mol
SMILES Oc1cc(c(C(Oc2c(c(c(cc2OC)CCCCC)C(=O)O)O)=O)c(c1)CCCCC)O
SPLASH splash10-0uk9-0900000000-7be632f343f607f50e6a
Source of Spectrum B-39-231-18
Wiley ID 1390480