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1-BETA-HYDROXY-2-DEACETOXY-7,9,10-TRIDEACETYL-TAXININE-J

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1-BETA-HYDROXY-2-DEACETOXY-7,9,10-TRIDEACETYL-TAXININE-J
SpectraBase Compound ID Fr5YGMCaPr9
InChI InChI=1S/C31H40O8/c1-17-21-15-31(37)16-23(38-19(3)32)18(2)26(29(31,4)5)27(35)28(36)30(21,6)24(33)14-22(17)39-25(34)13-12-20-10-8-7-9-11-20/h7-13,21-24,27-28,33,35-37H,1,14-16H2,2-6H3/b13-12+/t21-,22+,23+,24+,27-,28+,30+,31+/m1/s1
InChIKey DMLCLEWKDXKQOL-RCBYAVSVSA-N
Mol Weight 540.7 g/mol
Molecular Formula C31H40O8
Exact Mass 540.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hhv5Wgeo3dv
Name 1-BETA-HYDROXY-2-DEACETOXY-7,9,10-TRIDEACETYL-TAXININE-J
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O8
InChI InChI=1S/C31H40O8/c1-17-21-15-31(37)16-23(38-19(3)32)18(2)26(29(31,4)5)27(35)28(36)30(21,6)24(33)14-22(17)39-25(34)13-12-20-10-8-7-9-11-20/h7-13,21-24,27-28,33,35-37H,1,14-16H2,2-6H3/b13-12+/t21-,22+,23+,24+,27-,28+,30+,31+/m1/s1
InChIKey DMLCLEWKDXKQOL-RCBYAVSVSA-N
Literature Reference Author D.A.SUN,F.SAURIOL,O.MAMER,L.O.ZAMIR
Literature Reference Citation BIOORG.MED.CHEM.,9,793(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00299-6
Molecular Weight 540.654 g/mol
Solvent CDCl3
Source File Reference UWLU21904