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(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-8-bis(4-fluorophenyl)methylene-9-methyl-3,5-dihydroxy-6-decenoate

View entire compound with spectra: 1 MS (GC)

(4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-8-bis(4-fluorophenyl)methylene-9-methyl-3,5-dihydroxy-6-decenoate
SpectraBase Compound ID AHcTDcwQCcE
InChI InChI=1S/C44H48F2O4/c1-27(2)35(40(29-13-17-31(45)18-14-29)30-15-19-32(46)20-16-30)22-21-33(47)25-34(48)26-39(49)50-42-38-23-24-44(5,43(38,3)4)41(42)37-12-8-10-28-9-6-7-11-36(28)37/h6-22,27,33-34,38,41-42,47-48H,23-26H2,1-5H3/b22-21+/t33-,34-,38-,41?,42?,44+/m0/s1
InChIKey HRLAGPQUFVEAGS-TXHREONSSA-N
Mol Weight 678.9 g/mol
Molecular Formula C44H48F2O4
Exact Mass 678.352066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACOXkmpwgqd
Name (4R)-4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-8-bis(4-fluorophenyl)methylene-9-methyl-3,5-dihydroxy-6-decenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H48F2O4
InChI InChI=1S/C44H48F2O4/c1-27(2)35(40(29-13-17-31(45)18-14-29)30-15-19-32(46)20-16-30)22-21-33(47)25-34(48)26-39(49)50-42-38-23-24-44(5,43(38,3)4)41(42)37-12-8-10-28-9-6-7-11-36(28)37/h6-22,27,33-34,38,41-42,47-48H,23-26H2,1-5H3/b22-21+/t33-,34-,38-,41?,42?,44+/m0/s1
InChIKey HRLAGPQUFVEAGS-TXHREONSSA-N
Molecular Weight 678.861 g/mol
SMILES O[C@](C[C@@](CC(OC1C([C@@]2(C([C@]1(CC2)[H])(C)C)C)c1c2c(cccc2)ccc1)=O)(O)[H])(\C=C\C(=C(c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)[H]
SPLASH splash10-08fr-0490000000-77672f1fe15f29542f80
Source of Spectrum AJ-68-359-14
Synonyms (4R)-4,7,7-trimethyl-3-(1-naphthyl)bicyclo[2.2.1]hept-2-yl (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-isopropyl-6,8-nonadienoate 4,7,7-Trimethyl-3-exo-(1-naphthyl)bicyclo[2.2.1]heptan-2-exo-yl (E,3S,5R)-8-bis(4-fluorophenyl)methylene-9-methyl-3,5-dihydroxy-6-decenoate
Wiley ID 773014