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(3S,9S,15R,17S,19S,22S,28S,34R,36S,38S)-15,34-DIMETHYL-2,8,14,21,27,33-HEXAOXO-16,35-DITHIA-1,7,13,20,26,32-HEXAAZAHEPTACYCLO-[34.2.1.1^17,20.0^3,

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(3S,9S,15R,17S,19S,22S,28S,34R,36S,38S)-15,34-DIMETHYL-2,8,14,21,27,33-HEXAOXO-16,35-DITHIA-1,7,13,20,26,32-HEXAAZAHEPTACYCLO-[34.2.1.1^17,20.0^3,
SpectraBase Compound ID KcVgzT6Dqro
InChI InChI=1S/C36H50N6O10S2/c1-19-29(43)37-11-3-7-23(37)31(45)39-13-5-10-26(39)34(48)42-18-22(16-28(42)36(51)52)54-20(2)30(44)38-12-4-8-24(38)32(46)40-14-6-9-25(40)33(47)41-17-21(53-19)15-27(41)35(49)50/h19-28H,3-18H2,1-2H3,(H,49,50)(H,51,52)/t19-,20-,21?,22?,23+,24+,25+,26+,27?,28?/m1/s1
InChIKey JNYDXMOUBCCUKL-JHLIVDLTSA-N
Mol Weight 790.9 g/mol
Molecular Formula C36H50N6O10S2
Exact Mass 790.302984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnGz1mmbKW6
Name (3S,9S,15R,17S,19S,22S,28S,34R,36S,38S)-15,34-DIMETHYL-2,8,14,21,27,33-HEXAOXO-16,35-DITHIA-1,7,13,20,26,32-HEXAAZAHEPTACYCLO-[34.2.1.1^17,20.0^3,
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H50N6O10S2
InChI InChI=1S/C36H50N6O10S2/c1-19-29(43)37-11-3-7-23(37)31(45)39-13-5-10-26(39)34(48)42-18-22(16-28(42)36(51)52)54-20(2)30(44)38-12-4-8-24(38)32(46)40-14-6-9-25(40)33(47)41-17-21(53-19)15-27(41)35(49)50/h19-28H,3-18H2,1-2H3,(H,49,50)(H,51,52)/t19-,20-,21?,22?,23+,24+,25+,26+,27?,28?/m1/s1
InChIKey JNYDXMOUBCCUKL-JHLIVDLTSA-N
Literature Reference Author A.LEWIS,J.WILKIE,T.J.RUTHERFORD,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3777(1998)
Literature Reference DOI 10.1039/a806030d
Molecular Weight 790.947 g/mol
Solvent D2O
Source File Reference UWCP9337