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(1R,3R)-1-{3-[(2R)-3,6-Dihydro-6-oxo-2H-pyran-2-yl]prop-2-enyl}-3-(4-phenylbutyl)propane-1,3-diylBis[(alphaR)-alpha-methoxy-alpha-(trifluoromethyl)benzeneacetate]
SpectraBase Compound ID 928XKrDoAEV
InChI InChI=1S/C41H42F6O8/c1-51-38(40(42,43)44,30-19-8-4-9-20-30)36(49)54-33(23-13-12-18-29-16-6-3-7-17-29)28-34(26-14-24-32-25-15-27-35(48)53-32)55-37(50)39(52-2,41(45,46)47)31-21-10-5-11-22-31/h3-11,14-17,19-22,24,27,32-34H,12-13,18,23,25-26,28H2,1-2H3/b24-14+/t32-,33+,34+,38+,39+/m0/s1
InChIKey FBPXMKVJLHXZQK-JRDXNYMXSA-N
Mol Weight 776.8 g/mol
Molecular Formula C41H42F6O8
Exact Mass 776.278387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dh7mKKG3JP9
Name (1R,3R)-1-{3-[(2R)-3,6-Dihydro-6-oxo-2H-pyran-2-yl]prop-2-enyl}-3-(4-phenylbutyl)propane-1,3-diylBis[(alphaR)-alpha-methoxy-alpha-(trifluoromethyl)benzeneacetate]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H42F6O8
InChI InChI=1S/C41H42F6O8/c1-51-38(40(42,43)44,30-19-8-4-9-20-30)36(49)54-33(23-13-12-18-29-16-6-3-7-17-29)28-34(26-14-24-32-25-15-27-35(48)53-32)55-37(50)39(52-2,41(45,46)47)31-21-10-5-11-22-31/h3-11,14-17,19-22,24,27,32-34H,12-13,18,23,25-26,28H2,1-2H3/b24-14+/t32-,33+,34+,38+,39+/m0/s1
InChIKey FBPXMKVJLHXZQK-JRDXNYMXSA-N
Literature Reference DOI 10.1002_1522-2675(20011114)84_11_3470
Molecular Weight 776.769 g/mol
SMILES [C@@](C[C@@](CCCCc1ccccc1)(OC([C@](c1ccccc1)(C(F)(F)F)OC)=O)[H])(C\C=C\[C@]1(CC=CC(O1)=O)[H])(OC(=O)[C@@](C(F)(F)F)(c1ccccc1)OC)[H]
SPLASH splash10-000l-2901000000-c0c1e913a6deb033fe08
Source of Spectrum H-84-3475-2c
Synonyms (5R,7R,E)-10-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-phenyl-7-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)dec-9-en-5-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID 1787535