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(7R)-7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-oxidanyl-phenyl)heptanoic acid
SpectraBase Compound ID KVUadc8PMtu
InChI InChI=1S/C23H27FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKey ONLZZJQCIFFEMP-LJQANCHMSA-N
Mol Weight 386.46 g/mol
Molecular Formula C23H27FO4
Exact Mass 386.189338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dkg58n0vpkc
Name (7R)-7-(4-fluorophenyl)-7-(3-methanoyl-2,4,5-trimethyl-6-oxidanyl-phenyl)heptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27FO4
InChI InChI=1S/C23H27FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-13,19,28H,4-8H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKey ONLZZJQCIFFEMP-LJQANCHMSA-N
Molecular Weight 386.463 g/mol
SMILES Oc1c([C@](CCCCCC(=O)O)(c2ccc(cc2)F)[H])c(c(c(c1C)C)C=O)C
SPLASH splash10-00di-0094000000-e97cdcd058092c4349f5
Source of Spectrum E1-44-754-1
Synonyms (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)enanthic acid (7R)-7-(4-fluorophenyl)-7-(5-formyl-2-hydroxy-3,4,6-trimethyl-phenyl)heptanoic acid
Wiley ID 1553369