(1'R,2'S,5'R)-5,11,17,23,29,35-HEXA-TERT.-BUTYL-38,39,40,41,42-PENTAHYDROXY-37-(CIS-MYRTANYLOXY)-CALIX-[6]-ARENE

SpectraBase Compound ID	GgAYIKm8iJf
InChI	InChI=1S/C76H100O6/c1-70(2,3)57-29-44-23-46-31-58(71(4,5)6)33-48(65(46)78)25-50-35-60(73(10,11)12)37-52(67(50)80)27-54-39-62(75(16,17)18)40-55(69(54)82-42-43-21-22-56-41-63(43)76(56,19)20)28-53-38-61(74(13,14)15)36-51(68(53)81)26-49-34-59(72(7,8)9)32-47(66(49)79)24-45(30-57)64(44)77/h29-40,43,56,63,77-81H,21-28,41-42H2,1-20H3/t43-,56-,63-/m1/s1
InChIKey	VNAJVUPLPZNEIY-DFPHGCEYSA-N Google Search
Mol Weight	1109.6 g/mol
Molecular Formula	C76H100O6
Exact Mass	1108.751991 g/mol

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SpectraBase Spectrum ID	JaJrCpcFLQN
Name	(1'R,2'S,5'R)-5,11,17,23,29,35-HEXA-TERT.-BUTYL-38,39,40,41,42-PENTAHYDROXY-37-(CIS-MYRTANYLOXY)-CALIX-[6]-ARENE
Compound Number	14
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C76H100O6
InChI	InChI=1S/C76H100O6/c1-70(2,3)57-29-44-23-46-31-58(71(4,5)6)33-48(65(46)78)25-50-35-60(73(10,11)12)37-52(67(50)80)27-54-39-62(75(16,17)18)40-55(69(54)82-42-43-21-22-56-41-63(43)76(56,19)20)28-53-38-61(74(13,14)15)36-51(68(53)81)26-49-34-59(72(7,8)9)32-47(66(49)79)24-45(30-57)64(44)77/h29-40,43,56,63,77-81H,21-28,41-42H2,1-20H3/t43-,56-,63-/m1/s1
InChIKey	VNAJVUPLPZNEIY-DFPHGCEYSA-N
Literature Reference Author	S.KONRAD,M.BOLTE,C.NAETHER,U.LUENING
Literature Reference Citation	EUR.J.ORG.CHEM.,4717(2006)
Molecular Weight	1109.626 g/mol
Sample ID	32639
Solvent	C2D2Cl4