4,12,16,24,28,36,40,48-Octahydroxy-5,11,17,23,29,35,41,47-octa-tert-butylcalix[8]arene

SpectraBase Compound ID	7aFiSAD5ZTN
InChI	InChI=1S/C88H112O8/c1-81(2,3)65-37-49-25-50-30-59(75(91)66(38-50)82(4,5)6)46-60-33-53(41-69(76(60)92)85(13,14)15)27-54-34-63(79(95)70(42-54)86(16,17)18)48-64-36-56(44-72(80(64)96)88(22,23)24)28-55-35-62(78(94)71(43-55)87(19,20)21)47-61-32-52(40-68(77(61)93)84(10,11)12)26-51-31-58(45-57(29-49)73(65)89)74(90)67(39-51)83(7,8)9/h29-44,89-96H,25-28,45-48H2,1-24H3
InChIKey	MGDXZIVGWPOYKT-UHFFFAOYSA-N Google Search
Mol Weight	1297.9 g/mol
Molecular Formula	C88H112O8
Exact Mass	1296.835721 g/mol

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SpectraBase Spectrum ID	29qJijZPdxu
Name	4,12,16,24,28,36,40,48-Octahydroxy-5,11,17,23,29,35,41,47-octa-tert-butylcalix[8]arene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C88H112O8
InChI	InChI=1S/C88H112O8/c1-81(2,3)65-37-49-25-50-30-59(75(91)66(38-50)82(4,5)6)46-60-33-53(41-69(76(60)92)85(13,14)15)27-54-34-63(79(95)70(42-54)86(16,17)18)48-64-36-56(44-72(80(64)96)88(22,23)24)28-55-35-62(78(94)71(43-55)87(19,20)21)47-61-32-52(40-68(77(61)93)84(10,11)12)26-51-31-58(45-57(29-49)73(65)89)74(90)67(39-51)83(7,8)9/h29-44,89-96H,25-28,45-48H2,1-24H3
InChIKey	MGDXZIVGWPOYKT-UHFFFAOYSA-N
Molecular Weight	1297.856 g/mol
SMILES	Oc1c2Cc3cc(Cc4cc(c(c(Cc5cc(Cc6cc(c(c(Cc7cc(Cc8cc(c(c(Cc9cc(Cc(cc1C(C)(C)C)c2)cc(c9O)C(C)(C)C)c8)O)C(C)(C)C)cc(c7O)C(C)(C)C)c6)O)C(C)(C)C)cc(c5O)C(C)(C)C)c4)O)C(C)(C)C)cc(c3O)C(C)(C)C
SPLASH	splash10-0002-0090002000-20cffbf2c7d458398909
Source of Spectrum	F-53-3297-5
Synonyms	5,11,17,23,29,35,41,47-octa-tert-butylnonacyclo[43.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31).1(33,37).1(39,43)]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45,47-tetracosaen-4,12,16,24,28,36,40,48-octol
Wiley ID	800953