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ALTERNAROSIN_A;9'-O-DEACETYLBISDETHIOBIS-(METHYLTHIO)-ACETYLARANOTIN
SpectraBase Compound ID 3iN3kVGe3Ep
InChI InChI=1S/C22H24N2O7S2/c1-12(25)31-16-5-7-30-11-14-9-22(33-3)19(27)23-17-13(10-29-6-4-15(17)26)8-21(23,32-2)20(28)24(22)18(14)16/h4-7,10-11,15-18,26H,8-9H2,1-3H3/t15-,16-,17-,18-,21+,22+/m0/s1
InChIKey FKTWUGWPZKJARC-NEEVBFIGSA-N
Mol Weight 492.56 g/mol
Molecular Formula C22H24N2O7S2
Exact Mass 492.102493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmFiJxYjAgL
Name ALTERNAROSIN_A;9'-O-DEACETYLBISDETHIOBIS-(METHYLTHIO)-ACETYLARANOTIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O7S2
InChI InChI=1S/C22H24N2O7S2/c1-12(25)31-16-5-7-30-11-14-9-22(33-3)19(27)23-17-13(10-29-6-4-15(17)26)8-21(23,32-2)20(28)24(22)18(14)16/h4-7,10-11,15-18,26H,8-9H2,1-3H3/t15-,16-,17-,18-,21+,22+/m0/s1
InChIKey FKTWUGWPZKJARC-NEEVBFIGSA-N
Literature Reference Author W.WANG,Y.WANG,H.TAO,X.PENG,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,72,1695(2009)
Literature Reference DOI 10.1021/np9002299
Molecular Weight 492.562 g/mol
Sample ID 33590
Solvent DMSO-D6