1,2-BIS-[2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHENE-3-(2H)-ONE-6-YLETHANOYL]-PHOSPHATIDILCHOLINE

SpectraBase Compound ID	GULBtrbGGKU
InChI	InChI=1S/C56H68NO12PS2/c1-6-8-10-12-31-64-44-22-14-40(15-23-44)36-51-55(60)47-26-18-42(34-49(47)71-51)20-28-53(58)66-38-46(39-68-70(62,63)67-33-30-57(3,4)5)69-54(59)29-21-43-19-27-48-50(35-43)72-52(56(48)61)37-41-16-24-45(25-17-41)65-32-13-11-9-7-2/h14-19,22-27,34-37,46H,6-13,20-21,28-33,38-39H2,1-5H3/b51-36-,52-37-/t46-/m1/s1
InChIKey	MRNQFRIBEYDXET-WDIQMERZSA-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	EO8LKcjjT2J
Name	1,2-BIS-[2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHENE-3-(2H)-ONE-6-YLETHANOYL]-PHOSPHATIDILCHOLINE
Compound Number	1C
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C56H68NO12PS2
InChI	InChI=1S/C56H68NO12PS2/c1-6-8-10-12-31-64-44-22-14-40(15-23-44)36-51-55(60)47-26-18-42(34-49(47)71-51)20-28-53(58)66-38-46(39-68-70(62,63)67-33-30-57(3,4)5)69-54(59)29-21-43-19-27-48-50(35-43)72-52(56(48)61)37-41-16-24-45(25-17-41)65-32-13-11-9-7-2/h14-19,22-27,34-37,46H,6-13,20-21,28-33,38-39H2,1-5H3/b51-36-,52-37-/t46-/m1/s1
InChIKey	MRNQFRIBEYDXET-WDIQMERZSA-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	UWVN26281