1,2-BIS-[2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHENE-3-(2H)-ONE-4-YLETHANOYL]-PHOSPHATIDILCHOLINE

SpectraBase Compound ID	6PmVjAUhTi6
InChI	InChI=1S/C56H68NO12PS2/c1-6-8-10-12-33-64-44-26-20-40(21-27-44)36-49-55(60)53-42(16-14-18-47(53)71-49)24-30-51(58)66-38-46(39-68-70(62,63)67-35-32-57(3,4)5)69-52(59)31-25-43-17-15-19-48-54(43)56(61)50(72-48)37-41-22-28-45(29-23-41)65-34-13-11-9-7-2/h14-23,26-29,36-37,46H,6-13,24-25,30-35,38-39H2,1-5H3/b49-36-,50-37-/t46-/m1/s1
InChIKey	KIYNGESVJKTPHJ-KSVYKZJZSA-N Google Search
Mol Weight	1042.2 g/mol
Molecular Formula	C56H68NO12PS2
Exact Mass	1041.392056 g/mol

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SpectraBase Spectrum ID	1DbCsrcAPsP
Name	1,2-BIS-[2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHENE-3-(2H)-ONE-4-YLETHANOYL]-PHOSPHATIDILCHOLINE
Compound Number	1D
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C56H68NO12PS2
InChI	InChI=1S/C56H68NO12PS2/c1-6-8-10-12-33-64-44-26-20-40(21-27-44)36-49-55(60)53-42(16-14-18-47(53)71-49)24-30-51(58)66-38-46(39-68-70(62,63)67-35-32-57(3,4)5)69-52(59)31-25-43-17-15-19-48-54(43)56(61)50(72-48)37-41-22-28-45(29-23-41)65-34-13-11-9-7-2/h14-23,26-29,36-37,46H,6-13,24-25,30-35,38-39H2,1-5H3/b49-36-,50-37-/t46-/m1/s1
InChIKey	KIYNGESVJKTPHJ-KSVYKZJZSA-N
Literature Reference Author	K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation	J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI	10.1021/jo0056848
Solvent	CDCl3
Source File Reference	UWVN26282