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STIGMASTANOL-SUCCINOBUCOL
SpectraBase Compound ID FYzUvg3Z7ac
InChI InChI=1S/C64H102O5S2/c1-21-41(39(2)3)23-22-40(4)47-26-27-48-46-25-24-42-34-43(30-32-63(42,19)49(46)31-33-64(47,48)20)68-54(65)28-29-55(66)69-57-52(60(11,12)13)37-45(38-53(57)61(14,15)16)71-62(17,18)70-44-35-50(58(5,6)7)56(67)51(36-44)59(8,9)10/h35-43,46-49,67H,21-34H2,1-20H3/t40-,41-,42+,43+,46+,47-,48+,49+,63+,64-/m1/s1
InChIKey KEOXIMKXTQQCCC-BMPKGMECSA-N
Mol Weight 1015.6 g/mol
Molecular Formula C64H102O5S2
Exact Mass 1014.716869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcYFDlK12qh
Name STIGMASTANOL-SUCCINOBUCOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H102O5S2
InChI InChI=1S/C64H102O5S2/c1-21-41(39(2)3)23-22-40(4)47-26-27-48-46-25-24-42-34-43(30-32-63(42,19)49(46)31-33-64(47,48)20)68-54(65)28-29-55(66)69-57-52(60(11,12)13)37-45(38-53(57)61(14,15)16)71-62(17,18)70-44-35-50(58(5,6)7)56(67)51(36-44)59(8,9)10/h35-43,46-49,67H,21-34H2,1-20H3/t40-,41-,42+,43+,46+,47-,48+,49+,63+,64-/m1/s1
InChIKey KEOXIMKXTQQCCC-BMPKGMECSA-N
Literature Reference Author O.JURCEK,S.IKONEN,L.BURCICOVA,M.WIMMEROVA,Z.WIMMER,P.DRASAR, J.HORNICEK,A.GALANDA
Literature Reference Citation MOLECULES,16,9404(2011)
Literature Reference DOI 10.3390/molecules16119404
Molecular Weight 1015.631 g/mol
Sample ID 374
Solvent CDCl3