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(R)-7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid
SpectraBase Compound ID IEUhUGevDb4
InChI InChI=1S/C24H29FO4/c1-14-15(2)24(29)23(16(3)22(14)17(4)26)20(8-6-5-7-9-21(27)28)18-10-12-19(25)13-11-18/h10-13,20,29H,5-9H2,1-4H3,(H,27,28)/t20-/m1/s1
InChIKey UCQJXQXTSXMEDP-HXUWFJFHSA-N
Mol Weight 400.49 g/mol
Molecular Formula C24H29FO4
Exact Mass 400.204988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVE29oqMtj2
Name (R)-7-(3-Acetyl-6-hydroxy-2,4,5-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-14-15(2)24(29)23(16(3)22(14)17(4)26)20(8-6-5-7-9-21(27)28)18-10-12-19(25)13-11-18/h10-13,20,29H,5-9H2,1-4H3,(H,27,28)/t20-/m1/s1
InChIKey UCQJXQXTSXMEDP-HXUWFJFHSA-N
Molecular Weight 400.490 g/mol
SMILES Oc1c(c(c(c(c1[C@](CCCCCC(=O)O)(c1ccc(cc1)F)[H])C)C(=O)C)C)C
SPLASH splash10-000i-0094300000-11d6d67b17d924af87d3
Source of Spectrum E1-44-754-2
Synonyms (7R)-7-(3-ethanoyl-2,4,5-trimethyl-6-oxidanyl-phenyl)-7-(4-fluorophenyl)heptanoic acid (7R)-7-(5-acetyl-2-hydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthic acid (7R)-7-(5-acetyl-2-hydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoic acid
Wiley ID 1553370