HEPTAKIS-([6-O-(3'-METHYLBUTYL)]-BETA-CYCLODEXTRIN

SpectraBase Compound ID	4cVFCgLIefZ
InChI	InChI=1S/C77H140O35/c1-36(2)15-22-92-29-43-64-50(78)57(85)71(99-43)107-65-44(30-93-23-16-37(3)4)101-73(59(87)52(65)80)109-67-46(32-95-25-18-39(7)8)103-75(61(89)54(67)82)111-69-48(34-97-27-20-41(11)12)105-77(63(91)56(69)84)112-70-49(35-98-28-21-42(13)14)104-76(62(90)55(70)83)110-68-47(33-96-26-19-40(9)10)102-74(60(88)53(68)81)108-66-45(31-94-24-17-38(5)6)100-72(106-64)58(86)51(66)79/h36-91H,15-35H2,1-14H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1
InChIKey	LBRLCMQESHYLPT-DJDKIHHKSA-N Google Search
Mol Weight	1625.9 g/mol
Molecular Formula	C77H140O35
Exact Mass	1624.917516 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	FwMtWYLyWG2
Name	HEPTAKIS-([6-O-(3'-METHYLBUTYL)]-BETA-CYCLODEXTRIN
Compound Number	26
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C77H140O35
InChI	InChI=1S/C77H140O35/c1-36(2)15-22-92-29-43-64-50(78)57(85)71(99-43)107-65-44(30-93-23-16-37(3)4)101-73(59(87)52(65)80)109-67-46(32-95-25-18-39(7)8)103-75(61(89)54(67)82)111-69-48(34-97-27-20-41(11)12)105-77(63(91)56(69)84)112-70-49(35-98-28-21-42(13)14)104-76(62(90)55(70)83)110-68-47(33-96-26-19-40(9)10)102-74(60(88)53(68)81)108-66-45(31-94-24-17-38(5)6)100-72(106-64)58(86)51(66)79/h36-91H,15-35H2,1-14H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1
InChIKey	LBRLCMQESHYLPT-DJDKIHHKSA-N
Literature Reference Author	P.S.BANSAL,C.L.FRANCIS,N.K.HART,S.A.HENDERSON,D.OAKENFULL,A. D.ROBERTSON,G.W.SIMP
Literature Reference Citation	AUSTR.J.CHEM.,51,915(1998)
Literature Reference DOI	10.1071/C98064
Molecular Weight	1625.938 g/mol
Solvent	CDCl3
Source File Reference	UWMZ3502