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Taxol
SpectraBase Compound ID EBhkvuC2iRU
InChI InChI=1S/2C47H51NO14/c2*1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h2*7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t2*31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m00/s1
InChIKey DLXKLWOPIVAZPU-DFJGQYLHSA-N
Mol Weight 1707.8 g/mol
Molecular Formula C94H102N2O28
Exact Mass 1706.661911 g/mol
Enantiomer InChIKey DLXKLWOPIVAZPU-QEWCTXJRSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID-STATE
Title Journal or Book Year
Solid-state NMR studies of the molecular structure of Taxol Magnetic Resonance in Chemistry 2006

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