[(2R,3R,all-E)-2,3-Epoxy-2,6,10,14-tetramethyl-16-(phenylthio)hexadeca-6,10,14-trien-1-yl-[(2'S)-3',3',3'-trifluoro-2'-methoxy-2'-phenylpropanoate]

SpectraBase Compound ID	HnzvKioo4na
InChI	InChI=1S/C36H45F3O4S/c1-27(15-13-17-29(3)24-25-44-31-20-10-7-11-21-31)14-12-16-28(2)22-23-32-34(4,43-32)26-42-33(40)35(41-5,36(37,38)39)30-18-8-6-9-19-30/h6-11,15-16,18-21,24,32H,12-14,17,22-23,25-26H2,1-5H3/b27-15+,28-16+,29-24+/t32-,34-,35?/m1/s1
InChIKey	LYVSJUWKOYUZOV-ZEZWLSONSA-N Google Search
Mol Weight	630.8 g/mol
Molecular Formula	C36H45F3O4S
Exact Mass	630.299066 g/mol

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SpectraBase Spectrum ID	1OGoMtyOqxc
Name	[(2R,3R,all-E)-2,3-Epoxy-2,6,10,14-tetramethyl-16-(phenylthio)hexadeca-6,10,14-trien-1-yl-[(2'S)-3',3',3'-trifluoro-2'-methoxy-2'-phenylpropanoate]
CAS Registry Number	132274-06-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H45F3O4S
InChI	InChI=1S/C36H45F3O4S/c1-27(15-13-17-29(3)24-25-44-31-20-10-7-11-21-31)14-12-16-28(2)22-23-32-34(4,43-32)26-42-33(40)35(41-5,36(37,38)39)30-18-8-6-9-19-30/h6-11,15-16,18-21,24,32H,12-14,17,22-23,25-26H2,1-5H3/b27-15+,28-16+,29-24+/t32-,34-,35?/m1/s1
InChIKey	LYVSJUWKOYUZOV-ZEZWLSONSA-N
Molecular Weight	630.807 g/mol
SMILES	[C@]1(O[C@@]1(CC\C(=C\CC\C(=C\CC\C(=C\CSc1ccccc1)C)C)C)[H])(COC(C(C(F)(F)F)(c1ccccc1)OC)=O)C
SPLASH	splash10-0019-5900000000-580428445e7161317d82
Source of Spectrum	H-73-1984-0
Synonyms	{(2R,3R)-2-methyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-(phenylsulfanyl)-3,7,11-tridecatrienyl]oxiranyl}methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID	1412106