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5,9-DIMETHYL-13-BETA,14-BETA-DITOSYLOXYMETHYL-16-ISOPROPYL-5-MORPHOLINOMETHYL-TETRACYCLO-[10.2.2.0-(1,10).0-(4,9)]-HEXADEC-15-ENE
SpectraBase Compound ID CwWHTf03Qha
InChI InChI=1S/C42H59NO7S2/c1-29(2)35-25-42-19-16-38-40(5,28-43-20-22-48-23-21-43)17-7-18-41(38,6)39(42)24-34(35)36(26-49-51(44,45)32-12-8-30(3)9-13-32)37(42)27-50-52(46,47)33-14-10-31(4)11-15-33/h8-15,25,29,34,36-39H,7,16-24,26-28H2,1-6H3/t34-,36-,37+,38?,39?,40-,41-,42+/m0/s1
InChIKey PDMBWMFNDWHNMC-LYZSETCWSA-N
Mol Weight 754.1 g/mol
Molecular Formula C42H59NO7S2
Exact Mass 753.373296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A4eNGx1Asj
Name 5,9-DIMETHYL-13-BETA,14-BETA-DITOSYLOXYMETHYL-16-ISOPROPYL-5-MORPHOLINOMETHYL-TETRACYCLO-[10.2.2.0-(1,10).0-(4,9)]-HEXADEC-15-ENE
Compound Number XVIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H59NO7S2
InChI InChI=1S/C42H59NO7S2/c1-29(2)35-25-42-19-16-38-40(5,28-43-20-22-48-23-21-43)17-7-18-41(38,6)39(42)24-34(35)36(26-49-51(44,45)32-12-8-30(3)9-13-32)37(42)27-50-52(46,47)33-14-10-31(4)11-15-33/h8-15,25,29,34,36-39H,7,16-24,26-28H2,1-6H3/t34-,36-,37+,38?,39?,40-,41-,42+/m0/s1
InChIKey PDMBWMFNDWHNMC-LYZSETCWSA-N
Literature Reference Author A.G.TOLSTIKOV,N.N.KARPYSHEV,O.V.TOLSTIKOVA,T.B.KHLEBNIKOVA,G .E.SALNIKOV,V.I.MAMA
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1134(2001)
Literature Reference DOI 10.1023/A:1013144431609
Molecular Weight 754.053 g/mol
Solvent CDCl3
Source File Reference UWVN5621