PER-6-[(1,3-DIHYDROXY-2-PROPYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN

SpectraBase Compound ID	7CVvdxpwVQX
InChI	InChI=1S/C63H119N7O42/c71-8-22(9-72)64-1-29-50-36(85)43(92)57(99-29)107-51-30(2-65-23(10-73)11-74)101-59(45(94)38(51)87)109-53-32(4-67-25(14-77)15-78)103-61(47(96)40(53)89)111-55-34(6-69-27(18-81)19-82)105-63(49(98)42(55)91)112-56-35(7-70-28(20-83)21-84)104-62(48(97)41(56)90)110-54-33(5-68-26(16-79)17-80)102-60(46(95)39(54)88)108-52-31(3-66-24(12-75)13-76)100-58(106-50)44(93)37(52)86/h22-98H,1-21H2/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40-,41+,42+,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53?,54-,55+,56+,57+,58+,59+,60+,61+,62-,63-/m0/s1
InChIKey	SZMXMBUAHQVHEL-HSMJLHKVSA-N Google Search
Mol Weight	1646.7 g/mol
Molecular Formula	C63H119N7O42
Exact Mass	1645.739111 g/mol

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SpectraBase Spectrum ID	3IEjUwzBH6B
Name	PER-6-[(1,3-DIHYDROXY-2-PROPYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN
Compound Number	4B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C63H119N7O42
InChI	InChI=1S/C63H119N7O42/c71-8-22(9-72)64-1-29-50-36(85)43(92)57(99-29)107-51-30(2-65-23(10-73)11-74)101-59(45(94)38(51)87)109-53-32(4-67-25(14-77)15-78)103-61(47(96)40(53)89)111-55-34(6-69-27(18-81)19-82)105-63(49(98)42(55)91)112-56-35(7-70-28(20-83)21-84)104-62(48(97)41(56)90)110-54-33(5-68-26(16-79)17-80)102-60(46(95)39(54)88)108-52-31(3-66-24(12-75)13-76)100-58(106-50)44(93)37(52)86/h22-98H,1-21H2/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40-,41+,42+,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53?,54-,55+,56+,57+,58+,59+,60+,61+,62-,63-/m0/s1
InChIKey	SZMXMBUAHQVHEL-HSMJLHKVSA-N
Literature Reference Author	D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER
Literature Reference Citation	J.ORG.CHEM.,62,8760(1997)
Literature Reference DOI	10.1021/jo9711549
Molecular Weight	1646.660 g/mol
Solvent	D2O
Source File Reference	UWSP781