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Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-4-methoxy-6-pentyl-
SpectraBase Compound ID HOPHxa9wtqo
InChI InChI=1S/C26H34O8/c1-5-7-9-11-16-13-18(27)15-19(32-3)21(16)26(31)34-24-20(33-4)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 CGWXPEDTSFXWMQ-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 CFGBZ3pRtgI
Name Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-4-methoxy-6-pentyl-
Alternate Name(s) 1-Hydroxy-2-hydroxycarbonyl-3-pentyl-5-methoxy-((2,4-dimethoxy-5-pentyl-phenyl-phenyl)-carbonyloxy)-benzene 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid 4'-O-methylcryptochlorophaeic acid
CAS Registry Number 104847-75-8
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(27)15-19(32-3)21(16)26(31)34-24-20(33-4)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 CGWXPEDTSFXWMQ-UHFFFAOYSA-N
Molecular Weight 474.550 g/mol
SMILES Oc1cc(c(C(Oc2c(c(c(cc2OC)CCCCC)C(=O)O)O)=O)c(c1)CCCCC)OC
SPLASH splash10-0f79-0910000000-96b59f211a374e15d162
Source of Spectrum B-39-231-9
Wiley ID 1393870