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CLAVOSOLIDE-A
SpectraBase Compound ID JVDm4OkTZvX
InChI InChI=1S/C44H72O16/c1-21-11-27(21)33-15-25-13-29(59-43-41(51-9)39(49-7)35(47-5)19-53-43)23(3)32(55-25)18-38(46)58-34(28-12-22(28)2)16-26-14-30(24(4)31(56-26)17-37(45)57-33)60-44-42(52-10)40(50-8)36(48-6)20-54-44/h21-36,39-44H,11-20H2,1-10H3/t21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,39+,40+,41-,42-,43+,44+/m1/s1
InChIKey CTMDQMUAHLSXCW-AKKODICASA-N
Mol Weight 857.0 g/mol
Molecular Formula C44H72O16
Exact Mass 856.482036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zn6vpEWSPF
Name #2;(-)-(3S,4S,5S,7R,9S,10R,11R,15S,16R,17S,18R,3'S,4'S,5'S,7'R,9'S,10'R,11'R,15'S,16'R,17'S,18'R)-4,4'-DIMETHYL-9,9'BIS-(2-METHYLCYCLOPROPYL)-5,5'-BIS-(3,4,5-T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H72O16
InChI InChI=1S/C44H72O16/c1-21-11-27(21)33-15-25-13-29(59-43-41(51-9)39(49-7)35(47-5)19-53-43)23(3)32(55-25)18-38(46)58-34(28-12-22(28)2)16-26-14-30(24(4)31(56-26)17-37(45)57-33)60-44-42(52-10)40(50-8)36(48-6)20-54-44/h21-36,39-44H,11-20H2,1-10H3/t21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,39+,40+,41-,42-,43+,44+/m1/s1
InChIKey CTMDQMUAHLSXCW-AKKODICASA-N
Literature Reference Author C.S.BARRY,J.D.ELSWORTH,P.T.SEDEN,N.BUSHBY,J.R.HARDING,R.W.AL DER,C.L.WILLIS
Literature Reference Citation ORG.LETTERS,8,3319(2006)
Literature Reference DOI 10.1021/ol0611705
Molecular Weight 857.046 g/mol
Sample ID 60760
Solvent CDCl3