3,5-BIS-(HYDROXYMETHYL)-4-[4'-[4''-(L-MENTHOXYCARBONYLOXY)-3''-(1-OXODODECYL)-PHENYLETHYNYL]-BENZYLOXY]-PHENYLACETYLENE

SpectraBase Compound ID	CJtXbn15fou
InChI	InChI=1S/C48H60O7/c1-6-8-9-10-11-12-13-14-15-16-44(51)43-30-38(24-26-45(43)54-48(52)55-46-27-35(5)17-25-42(46)34(3)4)21-18-37-19-22-39(23-20-37)33-53-47-40(31-49)28-36(7-2)29-41(47)32-50/h2,19-20,22-24,26,28-30,34-35,42,46,49-50H,6,8-17,25,27,31-33H2,1,3-5H3/t35-,42+,46-/m1/s1
InChIKey	CRGASEOBGGNZJI-YXNNQPQZSA-N Google Search
Mol Weight	749.0 g/mol
Molecular Formula	C48H60O7
Exact Mass	748.433904 g/mol

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SpectraBase Spectrum ID	A8PJ5u2dVAY
Name	3,5-BIS-(HYDROXYMETHYL)-4-[4'-[4''-(L-MENTHOXYCARBONYLOXY)-3''-(1-OXODODECYL)-PHENYLETHYNYL]-BENZYLOXY]-PHENYLACETYLENE
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C48H60O7
InChI	InChI=1S/C48H60O7/c1-6-8-9-10-11-12-13-14-15-16-44(51)43-30-38(24-26-45(43)54-48(52)55-46-27-35(5)17-25-42(46)34(3)4)21-18-37-19-22-39(23-20-37)33-53-47-40(31-49)28-36(7-2)29-41(47)32-50/h2,19-20,22-24,26,28-30,34-35,42,46,49-50H,6,8-17,25,27,31-33H2,1,3-5H3/t35-,42+,46-/m1/s1
InChIKey	CRGASEOBGGNZJI-YXNNQPQZSA-N
Literature Reference Author	Y.ABE,T.AOKI,H.JIA,S.HADANO,T.NAMIKOSHI,Y.KAKIHANA,L.LIU,Y.Z ANG,M.TERAGUCHI,T.KA
Literature Reference Citation	MOLECULES,17,433(2012)
Literature Reference DOI	10.3390/molecules17010433
Molecular Weight	749.000 g/mol
Sample ID	72947
Solvent	CDCl3