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Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentyl-
SpectraBase Compound ID 4cNLoBx6XWN
InChI InChI=1S/C24H30O8/c1-5-7-8-10-15-12-18(31-4)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(25)13-17(19)30-3/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey FUQNKYILTGFJSB-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H30O8
Exact Mass 446.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr5KCMPeJ33
Name Benzoic acid, 2-hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentyl-
CAS Registry Number 69563-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O8
InChI InChI=1S/C24H30O8/c1-5-7-8-10-15-12-18(31-4)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(25)13-17(19)30-3/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
InChIKey FUQNKYILTGFJSB-UHFFFAOYSA-N
Molecular Weight 446.496 g/mol
SMILES OC(c1c(cc(c(OC(c2c(cc(cc2OC)O)CCC)=O)c1O)OC)CCCCC)=O
SPLASH splash10-002o-5930000000-f346b5212e8fb4bfbfce
Source of Spectrum W5-35401-30135-30135
Synonyms 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pentylbenzoic acid 2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylphenyl)-oxomethoxy]-4-methoxy-6-pentylbenzoic acid 4-Methoxy-3-(2-methoxy-4-oxidanyl-6-propyl-phenyl)carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid 6-Amyl-2-hydroxy-3-(4-hydroxy-2-methoxy-6-propyl-benzoyl)oxy-4-methoxy-benzoic acid 2-Hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-pentylbenzoic acid
Wiley ID 1386585