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TENELLIC_ACID-D
SpectraBase Compound ID FkekY651ing
InChI InChI=1S/C25H32O7/c1-14(2)9-21(31-13-15(3)4)18-7-8-20(22(25(28)29)24(18)30-6)32-23-17(12-26)10-16(5)11-19(23)27/h7-8,10-12,14-15,21,27H,9,13H2,1-6H3,(H,28,29)
InChIKey RSHGBXXCFTYVDQ-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XQe7GdR4y2
Name Tenellic acid D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-14(2)9-21(31-13-15(3)4)18-7-8-20(22(25(28)29)24(18)30-6)32-23-17(12-26)10-16(5)11-19(23)27/h7-8,10-12,14-15,21,27H,9,13H2,1-6H3,(H,28,29)
InChIKey RSHGBXXCFTYVDQ-UHFFFAOYSA-N
Molecular Weight 444.524 g/mol
SMILES Oc1cc(cc(c1Oc1ccc(c(c1C(=O)O)OC)C(OCC(C)C)CC(C)C)C=O)C
SPLASH splash10-000i-0295000000-2a461d78730c02cec5a4
Source of Spectrum G4-62-583-4
Synonyms 6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[3-methyl-1-(2-methylpropoxy)butyl]benzoic acid 6-(2-Methanoyl-4-methyl-6-oxidanyl-phenoxy)-2-methoxy-3-[3-methyl-1-(2-methylpropoxy)butyl]benzoic acid
Wiley ID 1607818