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DIMETHYL-(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-[34.2.1.1^1
SpectraBase Compound ID EzauehqcEOT
InChI InChI=1S/C38H54N6O10S2/c1-21-31(45)39-15-5-10-25(39)34(48)42-18-8-12-27(42)36(50)44-28(37(51)53-3)13-14-30(44)56-22(2)32(46)40-16-6-9-24(40)33(47)41-17-7-11-26(41)35(49)43-20-23(55-21)19-29(43)38(52)54-4/h21-30H,5-20H2,1-4H3/t21-,22-,23?,24+,25+,26+,27+,28?,29?,30?/m1/s1
InChIKey UZFWOWDHHKIIMU-RNQQHBQOSA-N
Mol Weight 819.0 g/mol
Molecular Formula C38H54N6O10S2
Exact Mass 818.334284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bnQOw2lbd1
Name DIMETHYL-(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-[34.2.1.1^1
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54N6O10S2
InChI InChI=1S/C38H54N6O10S2/c1-21-31(45)39-15-5-10-25(39)34(48)42-18-8-12-27(42)36(50)44-28(37(51)53-3)13-14-30(44)56-22(2)32(46)40-16-6-9-24(40)33(47)41-17-7-11-26(41)35(49)43-20-23(55-21)19-29(43)38(52)54-4/h21-30H,5-20H2,1-4H3/t21-,22-,23?,24+,25+,26+,27+,28?,29?,30?/m1/s1
InChIKey UZFWOWDHHKIIMU-RNQQHBQOSA-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 819.001 g/mol
Solvent CDCl3
Source File Reference UWCP9338