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(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-[34.2.1.1^17

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(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-[34.2.1.1^17
SpectraBase Compound ID 84ur7puaZJs
InChI InChI=1S/C38H54N6O10S2/c1-21-29(45)42-17-7-14-38(42,4)36(54)40-16-6-10-25(40)32(48)44-26(33(49)50)11-12-28(44)56-22(2)30(46)43-18-8-13-37(43,3)35(53)39-15-5-9-24(39)31(47)41-20-23(55-21)19-27(41)34(51)52/h21-28H,5-20H2,1-4H3,(H,49,50)(H,51,52)/t21-,22-,23?,24+,25+,26?,27?,28?,37+,38+/m1/s1
InChIKey BDJVLGYOFIZCBJ-ZNWBYXKCSA-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 QjGR7SxD0x
Name (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-[34.2.1.1^17
Compound Number 28
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54N6O10S2
InChI InChI=1S/C38H54N6O10S2/c1-21-29(45)42-17-7-14-38(42,4)36(54)40-16-6-10-25(40)32(48)44-26(33(49)50)11-12-28(44)56-22(2)30(46)43-18-8-13-37(43,3)35(53)39-15-5-9-24(39)31(47)41-20-23(55-21)19-27(41)34(51)52/h21-28H,5-20H2,1-4H3,(H,49,50)(H,51,52)/t21-,22-,23?,24+,25+,26?,27?,28?,37+,38+/m1/s1
InChIKey BDJVLGYOFIZCBJ-ZNWBYXKCSA-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 D2O
Source File Reference UWCP9340