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TAXUSABIETANE-D;7-BETA,20-DIACETOXY-11,12-DIHYDROXYABIETA-8,11,13-TRIEN-3-ONE-12-(2,3,4,6-O-TETRAACETYL-BETA-GLUCOPYRANOSIDE)

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TAXUSABIETANE-D;7-BETA,20-DIACETOXY-11,12-DIHYDROXYABIETA-8,11,13-TRIEN-3-ONE-12-(2,3,4,6-O-TETRAACETYL-BETA-GLUCOPYRANOSIDE)
SpectraBase Compound ID Dfn7fCL79Ml
InChI InChI=1S/C38H50O16/c1-17(2)24-13-25-26(49-20(5)41)14-28-37(9,10)29(45)11-12-38(28,16-48-19(4)40)30(25)31(46)32(24)54-36-35(52-23(8)44)34(51-22(7)43)33(50-21(6)42)27(53-36)15-47-18(3)39/h13,17,26-28,33-36,46H,11-12,14-16H2,1-10H3/t26-,27+,28-,33+,34-,35+,36-,38+/m0/s1
InChIKey CXTTYCULUTUTIW-ZDVSSSEGSA-N
Mol Weight 762.8 g/mol
Molecular Formula C38H50O16
Exact Mass 762.309886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4YJH5vzKc1
Name TAXUSABIETANE-D;7-BETA,20-DIACETOXY-11,12-DIHYDROXYABIETA-8,11,13-TRIEN-3-ONE-12-(2,3,4,6-O-TETRAACETYL-BETA-GLUCOPYRANOSIDE)
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50O16
InChI InChI=1S/C38H50O16/c1-17(2)24-13-25-26(49-20(5)41)14-28-37(9,10)29(45)11-12-38(28,16-48-19(4)40)30(25)31(46)32(24)54-36-35(52-23(8)44)34(51-22(7)43)33(50-21(6)42)27(53-36)15-47-18(3)39/h13,17,26-28,33-36,46H,11-12,14-16H2,1-10H3/t26-,27+,28-,33+,34-,35+,36-,38+/m0/s1
InChIKey CXTTYCULUTUTIW-ZDVSSSEGSA-N
Literature Reference Author S.J.YANG,J.M.FANG,Y.S.CHENG
Literature Reference Citation PHYTOCHEM.,49,2037(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00443-9
Molecular Weight 762.805 g/mol
Solvent CDCl3
Source File Reference UWLU841