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7-O-(TRIETHYLSILYL)-BACCATIN-III
SpectraBase Compound ID AvBDogChTMS
InChI InChI=1S/C37H52O11Si/c1-10-49(11-2,12-3)48-26-18-27-36(20-44-27,47-23(6)39)30-32(46-33(42)24-16-14-13-15-17-24)37(43)19-25(40)21(4)28(34(37,7)8)29(45-22(5)38)31(41)35(26,30)9/h13-17,25-27,29-30,32,40,43H,10-12,18-20H2,1-9H3/t25?,26-,27+,29+,30+,32?,35+,36-,37+/m0/s1
InChIKey WHXLTBRGUWTBQP-VSKUWEOTSA-N
Mol Weight 700.9 g/mol
Molecular Formula C37H52O11Si
Exact Mass 700.327889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuJVYn3Mgrw
Name 7-O-(TRIETHYLSILYL)-BACCATIN-III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52O11Si
InChI InChI=1S/C37H52O11Si/c1-10-49(11-2,12-3)48-26-18-27-36(20-44-27,47-23(6)39)30-32(46-33(42)24-16-14-13-15-17-24)37(43)19-25(40)21(4)28(34(37,7)8)29(45-22(5)38)31(41)35(26,30)9/h13-17,25-27,29-30,32,40,43H,10-12,18-20H2,1-9H3/t25?,26-,27+,29+,30+,32?,35+,36-,37+/m0/s1
InChIKey WHXLTBRGUWTBQP-VSKUWEOTSA-N
Literature Reference Author T.MUKAIYAMA,I.SHIINA,H.IWADARE,M.SAITOH,T.NISHIMURA,N.OHKAWA ,H.SAKOH,K.NISHIMURA
Literature Reference Citation CHEM.EUR.J.,5,121(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<121::aid-chem121>3.3.co;2-f
Molecular Weight 700.899 g/mol
Solvent CDCl3
Source File Reference UWRU9529