2-[(7-ALPHA-O-10-METHYL-7-ISOALLOXAZINO)-METHYL]-BETA-CYCLODEXTRIN

SpectraBase Compound ID	6HL4tN0jB2R
InChI	InChI=1S/C54H78N4O37/c1-58-15-3-2-13(4-14(15)55-23-45(58)56-54(80)57-46(23)79)12-81-44-36(78)43-22(11-65)88-53(44)95-42-21(10-64)87-51(35(77)29(42)71)93-40-19(8-62)85-49(33(75)27(40)69)91-38-17(6-60)83-47(31(73)25(38)67)89-37-16(5-59)82-48(30(72)24(37)66)90-39-18(7-61)84-50(32(74)26(39)68)92-41-20(9-63)86-52(94-43)34(76)28(41)70/h2-4,16-22,24-44,47-53,59-78H,5-12H2,1H3,(H,57,79,80)/t16-,17-,18+,19-,20-,21-,22+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41-,42-,43+,44+,47-,48-,49-,50+,51-,52-,53+/m0/s1
InChIKey	BZHOLWFWJGMJAF-DTKSVSORSA-N Google Search
Mol Weight	1375.2 g/mol
Molecular Formula	C54H78N4O37
Exact Mass	1374.434489 g/mol

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SpectraBase Spectrum ID	98xrdTcxrHH
Name	2-[(7-ALPHA-O-10-METHYL-7-ISOALLOXAZINO)-METHYL]-BETA-CYCLODEXTRIN
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C54H78N4O37
InChI	InChI=1S/C54H78N4O37/c1-58-15-3-2-13(4-14(15)55-23-45(58)56-54(80)57-46(23)79)12-81-44-36(78)43-22(11-65)88-53(44)95-42-21(10-64)87-51(35(77)29(42)71)93-40-19(8-62)85-49(33(75)27(40)69)91-38-17(6-60)83-47(31(73)25(38)67)89-37-16(5-59)82-48(30(72)24(37)66)90-39-18(7-61)84-50(32(74)26(39)68)92-41-20(9-63)86-52(94-43)34(76)28(41)70/h2-4,16-22,24-44,47-53,59-78H,5-12H2,1H3,(H,57,79,80)/t16-,17-,18+,19-,20-,21-,22+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41-,42-,43+,44+,47-,48-,49-,50+,51-,52-,53+/m0/s1
InChIKey	BZHOLWFWJGMJAF-DTKSVSORSA-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	1375.218 g/mol
Solvent	D2O
Source File Reference	UWCS559