1-{3'-[3'',6''-Dihydro-6''-oxo-2H-pyran-2''-yl]prop-2'-enyl}-3-(4"-phenylbutyl)propane-1,3-diyl bis[(.alpha.-S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]

SpectraBase Compound ID	BNjKymOHEYv
InChI	InChI=1S/C41H42F6O8/c42-40(43,44)36(30-17-6-2-7-18-30)38(49)53-27-51-33(21-11-10-16-29-14-4-1-5-15-29)26-34(24-12-22-32-23-13-25-35(48)55-32)52-28-54-39(50)37(41(45,46)47)31-19-8-3-9-20-31/h1-9,12-15,17-20,22,25,32-34,36-37H,10-11,16,21,23-24,26-28H2/b22-12+/t32?,33-,34-,36?,37?/m0/s1
InChIKey	RGGPVLQIXMKBSA-AQFLCFKPSA-N Google Search
Mol Weight	776.8 g/mol
Molecular Formula	C41H42F6O8
Exact Mass	776.278387 g/mol

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SpectraBase Spectrum ID	9NGYxMLIo0T
Name	1-{3'-[3'',6''-Dihydro-6''-oxo-2H-pyran-2''-yl]prop-2'-enyl}-3-(4"-phenylbutyl)propane-1,3-diyl bis[(.alpha.-S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C41H42F6O8
InChI	InChI=1S/C41H42F6O8/c42-40(43,44)36(30-17-6-2-7-18-30)38(49)53-27-51-33(21-11-10-16-29-14-4-1-5-15-29)26-34(24-12-22-32-23-13-25-35(48)55-32)52-28-54-39(50)37(41(45,46)47)31-19-8-3-9-20-31/h1-9,12-15,17-20,22,25,32-34,36-37H,10-11,16,21,23-24,26-28H2/b22-12+/t32?,33-,34-,36?,37?/m0/s1
InChIKey	RGGPVLQIXMKBSA-AQFLCFKPSA-N
Molecular Weight	776.769 g/mol
SMILES	C(C(C(OCO[C@](C[C@@](OCOC(C(C(F)(F)F)c1ccccc1)=O)(C\C=C\C1OC(=O)C=CC1)[H])(CCCCc1ccccc1)[H])=O)c1ccccc1)(F)(F)F
SPLASH	splash10-06rl-3951000000-6c55a17b858a3c8648ca
Source of Spectrum	H-84-3475-2
Synonyms	1-{3'-[3'',6''-Dihydro-6''-oxo-2H-pyran-2''-yl]prop-2'-enyl}-3-(4''-phenylbutyl)propane-1,3-diyl bis[(.alpha.-S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
Wiley ID	847757