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S,S'-BIS-(2-NITROPHENYLSULFANYL)-3',5'-DITHIO-2'-DEOXY-ALPHA-4-N-(N-OCTANOYL)-ADENOSINE
SpectraBase Compound ID KYndIT3W4gT
InChI InChI=1S/C30H33N7O6S4/c1-2-3-4-5-6-15-26(38)34-29-28-30(32-18-31-29)35(19-33-28)27-16-25(47-46-24-14-10-8-12-21(24)37(41)42)22(43-27)17-44-45-23-13-9-7-11-20(23)36(39)40/h7-14,18-19,22,25,27H,2-6,15-17H2,1H3,(H,31,32,34,38)/t22-,25+,27+/m0/s1
InChIKey QPNPTUIXODPQDL-GEWUYGHSSA-N
Mol Weight 715.9 g/mol
Molecular Formula C30H33N7O6S4
Exact Mass 715.137517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C89D2bsWVy0
Name S,S'-BIS-(2-NITROPHENYLSULFANYL)-3',5'-DITHIO-2'-DEOXY-ALPHA-4-N-(N-OCTANOYL)-ADENOSINE
Compound Number 11-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H33N7O6S4
InChI InChI=1S/C30H33N7O6S4/c1-2-3-4-5-6-15-26(38)34-29-28-30(32-18-31-29)35(19-33-28)27-16-25(47-46-24-14-10-8-12-21(24)37(41)42)22(43-27)17-44-45-23-13-9-7-11-20(23)36(39)40/h7-14,18-19,22,25,27H,2-6,15-17H2,1H3,(H,31,32,34,38)/t22-,25+,27+/m0/s1
InChIKey QPNPTUIXODPQDL-GEWUYGHSSA-N
Literature Reference Author J.CHIBA,K.TANAKA,Y.OHSHIRO,R.MIYAKE,S.HIRAOKA,M.SHIRO,M.SHIO NOYA
Literature Reference Citation J.ORG.CHEM.,68,331(2003)
Literature Reference DOI 10.1021/jo026026l
Molecular Weight 715.875 g/mol
Solvent CDCl3
Source File Reference UWVN24991