MONO-6-(BENZYLTHIO)-HEXA-6-[N-METHYL-N-(2-HYDROXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN

SpectraBase Compound ID	Dd8FBeVHRKX
InChI	InChI=1S/C67H118N6O34S/c1-68(12-18-74)24-33-54-41(81)48(88)62(95-33)103-56-35(26-70(3)14-20-76)97-64(50(90)43(56)83)105-58-37(28-72(5)16-22-78)99-66(52(92)45(58)85)107-60-39(31-108-30-32-10-8-7-9-11-32)100-67(53(93)46(60)86)106-59-38(29-73(6)17-23-79)98-65(51(91)44(59)84)104-57-36(27-71(4)15-21-77)96-63(49(89)42(57)82)102-55-34(25-69(2)13-19-75)94-61(101-54)47(87)40(55)80/h7-11,33-67,74-93H,12-31H2,1-6H3/t33-,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+,64+,65-,66+,67+/m0/s1
InChIKey	GTEKUDHTFZIXAA-MLUQTMOOSA-N Google Search
Mol Weight	1583.7 g/mol
Molecular Formula	C67H118N6O34S
Exact Mass	1582.740966 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7N84qN3qvna
Name	MONO-6-(BENZYLTHIO)-HEXA-6-[N-METHYL-N-(2-HYDROXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN
Compound Number	15
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C67H118N6O34S
InChI	InChI=1S/C67H118N6O34S/c1-68(12-18-74)24-33-54-41(81)48(88)62(95-33)103-56-35(26-70(3)14-20-76)97-64(50(90)43(56)83)105-58-37(28-72(5)16-22-78)99-66(52(92)45(58)85)107-60-39(31-108-30-32-10-8-7-9-11-32)100-67(53(93)46(60)86)106-59-38(29-73(6)17-23-79)98-65(51(91)44(59)84)104-57-36(27-71(4)15-21-77)96-63(49(89)42(57)82)102-55-34(25-69(2)13-19-75)94-61(101-54)47(87)40(55)80/h7-11,33-67,74-93H,12-31H2,1-6H3/t33-,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+,64+,65-,66+,67+/m0/s1
InChIKey	GTEKUDHTFZIXAA-MLUQTMOOSA-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	1583.754 g/mol
Solvent	D2O
Source File Reference	UWSP790