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7,13-DIACETYL-BACCATIN-III

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7,13-DIACETYL-BACCATIN-III
SpectraBase Compound ID 2KGZ0SAmCFv
InChI InChI=1S/C35H42O13/c1-17-23(44-18(2)36)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,29(40)27(46-20(4)38)26(17)32(35,6)7)24(45-19(3)37)14-25-34(28,16-43-25)48-21(5)39/h9-13,23-25,27-28,30,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,30-,33+,34-,35+/m0/s1
InChIKey OLNLAMRZICZKJI-NIWDXWTNSA-N
Mol Weight 670.7 g/mol
Molecular Formula C35H42O13
Exact Mass 670.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDzclLRse82
Name 7,13-DIACETYL-BACCATIN-III
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42O13
InChI InChI=1S/C35H42O13/c1-17-23(44-18(2)36)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,29(40)27(46-20(4)38)26(17)32(35,6)7)24(45-19(3)37)14-25-34(28,16-43-25)48-21(5)39/h9-13,23-25,27-28,30,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,30-,33+,34-,35+/m0/s1
InChIKey OLNLAMRZICZKJI-NIWDXWTNSA-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 670.711 g/mol
Solvent CDCl3
Source File Reference UWVN20225