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13-ACETYL-D-SECO-5,6-DEHYDRO-20-DEACETYL-BACCATIN-III
SpectraBase Compound ID 96ppCGSoCYV
InChI InChI=1S/C31H36O11/c1-16-20(40-17(2)33)14-31(39)26(42-27(37)19-10-8-7-9-11-19)24-29(6,21(35)12-13-30(24,38)15-32)25(36)23(41-18(3)34)22(16)28(31,4)5/h7-13,20,23-24,26,32,38-39H,14-15H2,1-6H3/t20-,23+,24-,26-,29+,30+,31+/m0/s1
InChIKey WBWYFSKBAXBXPG-SAQKCQKVSA-N
Mol Weight 584.6 g/mol
Molecular Formula C31H36O11
Exact Mass 584.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dcx6zTLJZvr
Name 13-ACETYL-D-SECO-5,6-DEHYDRO-20-DEACETYL-BACCATIN-III
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O11
InChI InChI=1S/C31H36O11/c1-16-20(40-17(2)33)14-31(39)26(42-27(37)19-10-8-7-9-11-19)24-29(6,21(35)12-13-30(24,38)15-32)25(36)23(41-18(3)34)22(16)28(31,4)5/h7-13,20,23-24,26,32,38-39H,14-15H2,1-6H3/t20-,23+,24-,26-,29+,30+,31+/m0/s1
InChIKey WBWYFSKBAXBXPG-SAQKCQKVSA-N
Literature Reference Author A.NIKOLAKAKIS,G.CARON,A.CHERESTES,F.SAURIOL,O.MAMER,L.O.ZAMI R
Literature Reference Citation BIOORG.MED.CHEM.,8,1269(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00056-0
Molecular Weight 584.620 g/mol
Solvent CDCl3
Source File Reference UWVN20224