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.beta.-Resorcylic acid, 6-(2-oxoheptyl)-, 4-ester with methyl 6-pentyl-.beta.-resorcylate
SpectraBase Compound ID 45AlgB0ecsY
InChI InChI=1S/C27H34O8/c1-4-6-8-10-17-14-21(16-23(31)24(17)26(32)34-3)35-27(33)25-18(13-20(29)15-22(25)30)12-19(28)11-9-7-5-2/h13-16,29-31H,4-12H2,1-3H3
InChIKey LZLMZXJSGNQSHG-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C27H34O8
Exact Mass 486.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5r2JlsPQMh
Name .beta.-Resorcylic acid, 6-(2-oxoheptyl)-, 4-ester with methyl 6-pentyl-.beta.-resorcylate
CAS Registry Number 19314-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O8
InChI InChI=1S/C27H34O8/c1-4-6-8-10-17-14-21(16-23(31)24(17)26(32)34-3)35-27(33)25-18(13-20(29)15-22(25)30)12-19(28)11-9-7-5-2/h13-16,29-31H,4-12H2,1-3H3
InChIKey LZLMZXJSGNQSHG-UHFFFAOYSA-N
Molecular Weight 486.561 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCCCC)O)O)=O)cc(c1C(=O)OC)CCCCC
SPLASH splash10-0zni-5920000000-e704c5946e7de4156da8
Source of Spectrum SD-1981-0-0
Synonyms 3-Hydroxy-4-(methoxycarbonyl)-5-pentylphenyl 2,4-dihydroxy-6-(2-oxoheptyl)benzoate 2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (3-hydroxy-4-methoxycarbonyl-5-pentylphenyl) ester (3-hydroxy-4-methoxycarbonyl-5-pentylphenyl) 2,4-dihydroxy-6-(2-oxoheptyl)benzoate (3-hydroxy-4-methoxycarbonyl-5-pentyl-phenyl) 2,4-dihydroxy-6-(2-oxoheptyl)benzoate (4-methoxycarbonyl-3-oxidanyl-5-pentyl-phenyl) 2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)benzoate
Wiley ID 1396484