For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
DIMETHYL-(3S,9S,15R,17S,19S,22S,28S,34R,36S,38S)-9,15,28,34-TETRAMETHYL-2,8,14,21,27,33-HEXAOXO-16,35-DITHIA-1,7,13,20,26,32-HEXAAZAHEPTACYCLO-
SpectraBase Compound ID 1DEhEFRFrNx
InChI InChI=1S/C40H58N6O10S2/c1-23-31(47)44-19-9-16-40(44,4)38(54)42-18-8-12-27(42)34(50)46-28(35(51)55-5)13-14-30(46)58-24(2)32(48)45-20-10-15-39(45,3)37(53)41-17-7-11-26(41)33(49)43-22-25(57-23)21-29(43)36(52)56-6/h23-30H,7-22H2,1-6H3/t23-,24-,25?,26+,27+,28?,29?,30?,39+,40+/m1/s1
InChIKey CDXMIHFKZBPBHO-YOQLOCQUSA-N
Mol Weight 847.1 g/mol
Molecular Formula C40H58N6O10S2
Exact Mass 846.365584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1AAidTvlHBa
Name DIMETHYL-(3S,9S,15R,17S,19S,22S,28S,34R,36S,38S)-9,15,28,34-TETRAMETHYL-2,8,14,21,27,33-HEXAOXO-16,35-DITHIA-1,7,13,20,26,32-HEXAAZAHEPTACYCLO-
Compound Number 27
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H58N6O10S2
InChI InChI=1S/C40H58N6O10S2/c1-23-31(47)44-19-9-16-40(44,4)38(54)42-18-8-12-27(42)34(50)46-28(35(51)55-5)13-14-30(46)58-24(2)32(48)45-20-10-15-39(45,3)37(53)41-17-7-11-26(41)33(49)43-22-25(57-23)21-29(43)36(52)56-6/h23-30H,7-22H2,1-6H3/t23-,24-,25?,26+,27+,28?,29?,30?,39+,40+/m1/s1
InChIKey CDXMIHFKZBPBHO-YOQLOCQUSA-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 847.055 g/mol
Solvent D2O
Source File Reference UWCP9339