6-(10-N-ISOALLOXAZINOMETHYL)-ALPHA-CYCLODEXTRIN

SpectraBase Compound ID	9r0GqJqNyNe
InChI	InChI=1S/C52H74N4O36/c57-6-15-37-24(65)31(72)47(81-15)89-39-17(8-59)83-49(33(74)26(39)67)91-41-19(10-61)85-51(35(76)28(41)69)92-42-20(11-62)84-50(34(75)27(42)68)90-40-18(9-60)82-48(32(73)25(40)66)88-38-16(7-58)80-46(30(71)23(38)64)86-36-14(79-45(87-37)29(70)22(36)63)5-56-13-4-2-1-3-12(13)53-21-43(56)54-52(78)55-44(21)77/h1-4,14-20,22-42,45-51,57-76H,5-11H2,(H,55,77,78)
InChIKey	OVFUVDSIYYNRIW-UHFFFAOYSA-N Google Search
Mol Weight	1331.2 g/mol
Molecular Formula	C52H74N4O36
Exact Mass	1330.408275 g/mol

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SpectraBase Spectrum ID	7M7bjDrDxbk
Name	6-(10-N-ISOALLOXAZINOMETHYL)-ALPHA-CYCLODEXTRIN
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H74N4O36
InChI	InChI=1S/C52H74N4O36/c57-6-15-37-24(65)31(72)47(81-15)89-39-17(8-59)83-49(33(74)26(39)67)91-41-19(10-61)85-51(35(76)28(41)69)92-42-20(11-62)84-50(34(75)27(42)68)90-40-18(9-60)82-48(32(73)25(40)66)88-38-16(7-58)80-46(30(71)23(38)64)86-36-14(79-45(87-37)29(70)22(36)63)5-56-13-4-2-1-3-12(13)53-21-43(56)54-52(78)55-44(21)77/h1-4,14-20,22-42,45-51,57-76H,5-11H2,(H,55,77,78)
InChIKey	OVFUVDSIYYNRIW-UHFFFAOYSA-N
Literature Reference Author	D.RONG,H.YE,T.R.BOEHLOW,V.T.D'SOUZA
Literature Reference Citation	J.ORG.CHEM.,57,163(1992)
Literature Reference DOI	10.1021/jo00027a031
Molecular Weight	1331.165 g/mol
Solvent	DMSO-D6
Source File Reference	UWCS555