A,D-(m-Xylylene)calix[6]-(5-tert-Butyl-2-hydroxybenzene) 2-methyl ester

SpectraBase Compound ID	J0otVDkBRro
InChI	InChI=1S/C76H92O8/c1-71(2,3)57-29-45-23-46-30-58(72(4,5)6)34-50(65(46)78)26-55-39-62(76(16,17)18)40-56-28-52-36-60(74(10,11)12)32-48(67(52)80)24-47-31-59(73(7,8)9)35-51(66(47)79)27-54-38-61(75(13,14)15)37-53(25-49(33-57)64(45)77)68(54)83-41-43-21-20-22-44(42-84-69(55)56)63(43)70(81)82-19/h20-22,29-40,77-80H,23-28,41-42H2,1-19H3
InChIKey	VQHPBFBDKUMBCM-UHFFFAOYSA-N Google Search
Mol Weight	1133.6 g/mol
Molecular Formula	C76H92O8
Exact Mass	1132.67922 g/mol

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SpectraBase Spectrum ID	5v8ndoMbtqL
Name	A,D-(m-Xylylene)calix[6]-(5-tert-Butyl-2-hydroxybenzene) 2-methyl ester
Alternate Name(s)	methyl 5,11,17,23,29,35-hexa-tert-butyl-49,50,51,52-tetrahydroxy-38,46-dioxanonacyclo[17.17.11.1(3,7).1(9,13).1(21,25).1(27,31).1(40,44).0(15,47).0(33,37)]dopentaconta-1(37),3(52),4,6,9(51),10,12,15,17,19(47),21(50),22,24,27(49),28,30,33,35,40,42,44(48)-henicosaene-48-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C76H92O8
InChI	InChI=1S/C76H92O8/c1-71(2,3)57-29-45-23-46-30-58(72(4,5)6)34-50(65(46)78)26-55-39-62(76(16,17)18)40-56-28-52-36-60(74(10,11)12)32-48(67(52)80)24-47-31-59(73(7,8)9)35-51(66(47)79)27-54-38-61(75(13,14)15)37-53(25-49(33-57)64(45)77)68(54)83-41-43-21-20-22-44(42-84-69(55)56)63(43)70(81)82-19/h20-22,29-40,77-80H,23-28,41-42H2,1-19H3
InChIKey	VQHPBFBDKUMBCM-UHFFFAOYSA-N
Molecular Weight	1133.564 g/mol
SMILES	Oc1c2Cc3cc(cc4c3OCc3c(c(COc5c(cc(cc5Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)O)C(C)(C)C)Cc1c(c(Cc2c(c(C4)cc(c2)C(C)(C)C)O)cc(c1)C(C)(C)C)O)ccc3)C(=O)OC)C(C)(C)C
SPLASH	splash10-0udi-0900000000-4869b3b0041e7af17e3e
Source of Spectrum	KC-0-1317-5
Wiley ID	825152