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LHZXVCQPMOEFLN-HCQVYGQXSA-N
SpectraBase Compound ID 8VRQGLVgM76
InChI InChI=1S/C54H64O32S2/c1-20(55)69-18-35-41(77-24(5)59)43(79-26(7)61)45(80-27(8)62)51(82-35)86-50-38-30(15-74-54(68)88-11)13-34(76-23(4)58)40(38)32(17-72-50)48(66)84-44-42(78-25(6)60)36(19-70-21(2)56)83-52(46(44)81-28(9)63)85-49-37-29(14-73-53(67)87-10)12-33(75-22(3)57)39(37)31(16-71-49)47(64)65/h12-13,16-17,33-46,49-52H,14-15,18-19H2,1-11H3,(H,64,65)/t33-,34+,35+,36-,37+,38-,39-,40+,41+,42-,43-,44+,45+,46-,49-,50+,51-,52+/m0/s1
InChIKey LHZXVCQPMOEFLN-HCQVYGQXSA-N
Mol Weight 1289.2 g/mol
Molecular Formula C54H64O32S2
Exact Mass 1288.282212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvPqeVl2MXh
Name LHZXVCQPMOEFLN-HCQVYGQXSA-N
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H64O32S2
InChI InChI=1S/C54H64O32S2/c1-20(55)69-18-35-41(77-24(5)59)43(79-26(7)61)45(80-27(8)62)51(82-35)86-50-38-30(15-74-54(68)88-11)13-34(76-23(4)58)40(38)32(17-72-50)48(66)84-44-42(78-25(6)60)36(19-70-21(2)56)83-52(46(44)81-28(9)63)85-49-37-29(14-73-53(67)87-10)12-33(75-22(3)57)39(37)31(16-71-49)47(64)65/h12-13,16-17,33-46,49-52H,14-15,18-19H2,1-11H3,(H,64,65)/t33-,34+,35+,36-,37+,38-,39-,40+,41+,42-,43-,44+,45+,46-,49-,50+,51-,52+/m0/s1
InChIKey LHZXVCQPMOEFLN-HCQVYGQXSA-N
Literature Reference Author D.N.QUANG,T.HASHIMOTO,M.TANAKA,N.X.DUNG,Y.ASAKAWA
Literature Reference Citation PHYTOCHEM.,60,505(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00096-1
Molecular Weight 1289.203 g/mol
Solvent CDCl3
Source File Reference UWMS1709