A,D-(1,3-Pyridine)calix[6]-(5-tert-Butyl-2-hydroxybenzene) N-oxide

SpectraBase Compound ID	BiI3KGSjVRi
InChI	InChI=1S/C73H89NO7/c1-68(2,3)54-28-42-22-43-29-55(69(4,5)6)33-47(63(43)76)25-52-38-59(73(16,17)18)39-53-27-49-35-57(71(10,11)12)31-45(65(49)78)23-44-30-56(70(7,8)9)34-48(64(44)77)26-51-37-58(72(13,14)15)36-50(24-46(32-54)62(42)75)66(51)80-40-60-20-19-21-61(74(60)79)41-81-67(52)53/h19-21,28-39,75-78H,22-27,40-41H2,1-18H3
InChIKey	HXYNVCVGWLFPCQ-UHFFFAOYSA-N Google Search
Mol Weight	1092.5 g/mol
Molecular Formula	C73H89NO7
Exact Mass	1091.663904 g/mol

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SpectraBase Spectrum ID	KedPmGCsCIn
Name	A,D-(1,3-Pyridine)calix[6]-(5-tert-Butyl-2-hydroxybenzene) N-oxide
Alternate Name(s)	5,11,17,23,29,35-hexa-tert-butyl-49,50,51,52-tetrahydroxy-48-oxido-38,46-dioxa-48-azanonacyclo[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)-henicosaen-48-ium
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C73H89NO7
InChI	InChI=1S/C73H89NO7/c1-68(2,3)54-28-42-22-43-29-55(69(4,5)6)33-47(63(43)76)25-52-38-59(73(16,17)18)39-53-27-49-35-57(71(10,11)12)31-45(65(49)78)23-44-30-56(70(7,8)9)34-48(64(44)77)26-51-37-58(72(13,14)15)36-50(24-46(32-54)62(42)75)66(51)80-40-60-20-19-21-61(74(60)79)41-81-67(52)53/h19-21,28-39,75-78H,22-27,40-41H2,1-18H3
InChIKey	HXYNVCVGWLFPCQ-UHFFFAOYSA-N
Molecular Weight	1092.515 g/mol
SMILES	Oc1c2Cc3c4c(Cc5c(c(Cc6c(c(Cc7c(c(Cc8c(c(Cc1cc(c2)C(C)(C)C)cc(c8)C(C)(C)C)O)cc(c7)C(C)(C)C)OCc1[n+](c(CO4)ccc1)[O-])cc(c6)C(C)(C)C)O)cc(c5)C(C)(C)C)O)cc(c3)C(C)(C)C
SPLASH	splash10-00di-9000000000-f5abe7af7597fe7087cc
Source of Spectrum	KC-0-1316-7
Wiley ID	825153