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CLAVOSOLIDE-A;ISOLATED-COMPOUND
SpectraBase Compound ID GVMQaYUZfyM
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-/m0/s1
InChIKey CTMDQMUAHLSXCW-GMJYCCEUSA-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 HXtXOAdJXyf
Name CLAVOSOLIDE-A;ISOLATED-COMPOUND
Compound Number 3
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-/m0/s1
InChIKey CTMDQMUAHLSXCW-GMJYCCEUSA-N
Literature Reference Author J.B.SON,S.N.KIM,N.Y.KIM,D.H.LEE
Literature Reference Citation ORG.LETTERS,8,661(2006)
Literature Reference DOI 10.1021/ol052851n
Molecular Weight 857.046 g/mol
Sample ID 39909
Solvent CDCl3