John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DaFR9hrbXlK SpectraBase Spectrum ID=1JNoAvcLeS

(accessed ).
A-10255B
SpectraBase Compound ID DaFR9hrbXlK
InChI InChI=1S/C53H48N16O15S3/c1-10-11-30-50-56-14-33(84-50)45(77)55-17-36-54-15-34(86-36)46(78)63-25(7)51-57-16-35(87-51)47(79)61-23(5)41(73)62-24(6)49-67-31(18-83-49)38-28(52-68-32(19-85-52)44(76)69-37(27(9)70)48(80)66-30)12-13-29(65-38)43(75)60-22(4)40(72)58-20(2)39(71)59-21(3)42(74)64-26(8)53(81)82/h11-16,18-19,25,27,37,70H,2-6,8,10,17H2,1,7,9H3,(H,55,77)(H,58,72)(H,59,71)(H,60,75)(H,61,79)(H,62,73)(H,63,78)(H,64,74)(H,66,80)(H,69,76)(H,81,82)/b30-11+
InChIKey AXXZCCQYZVQWRP-KNBZMSCYSA-N
Mol Weight 1245.2 g/mol
Molecular Formula C53H48N16O15S3
Exact Mass 1244.264721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JNoAvcLeS
Name A-10255B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H48N16O15S3
InChI InChI=1S/C53H48N16O15S3/c1-10-11-30-50-56-14-33(84-50)45(77)55-17-36-54-15-34(86-36)46(78)63-25(7)51-57-16-35(87-51)47(79)61-23(5)41(73)62-24(6)49-67-31(18-83-49)38-28(52-68-32(19-85-52)44(76)69-37(27(9)70)48(80)66-30)12-13-29(65-38)43(75)60-22(4)40(72)58-20(2)39(71)59-21(3)42(74)64-26(8)53(81)82/h11-16,18-19,25,27,37,70H,2-6,8,10,17H2,1,7,9H3,(H,55,77)(H,58,72)(H,59,71)(H,60,75)(H,61,79)(H,62,73)(H,63,78)(H,64,74)(H,66,80)(H,69,76)(H,81,82)/b30-11+
InChIKey AXXZCCQYZVQWRP-KNBZMSCYSA-N
Literature Reference Author M.DEBONO,R.M.MOLLOY,J.L.OCCOLOWITZ,J.W.PASCHAL,A.H.HUNT,K.H. MICHEL,J.W.MARTIN
Literature Reference Citation J.ORG.CHEM.,57,5200(1992)
Literature Reference DOI 10.1021/jo00045a037
Molecular Weight 1245.242 g/mol
Solvent DMSO-D6
Source File Reference UWCS3975
SpectraBase Batch ID F3JWd028N2I