John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=B1tM3SMlGjB SpectraBase Spectrum ID=1KXiFOPHjQP

(accessed ).
10-NONANOYL-DOCETAXEL
SpectraBase Compound ID B1tM3SMlGjB
InChI InChI=1S/C52H69NO15/c1-10-11-12-13-14-21-26-37(56)65-41-38-30(2)34(64-46(60)40(57)39(32-22-17-15-18-23-32)53-47(61)68-48(4,5)6)28-52(62,49(38,7)8)44(66-45(59)33-24-19-16-20-25-33)42-50(9,43(41)58)35(55)27-36-51(42,29-63-36)67-31(3)54/h15-20,22-25,34-36,39-42,44,55,57,62H,10-14,21,26-29H2,1-9H3,(H,53,61)/t34-,35-,36+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1
InChIKey WEJVXUBXWQFIRQ-PRAKAINVSA-N
Mol Weight 948.1 g/mol
Molecular Formula C52H69NO15
Exact Mass 947.466721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KXiFOPHjQP
Name 10-NONANOYL-DOCETAXEL
Compound Number 9B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H69NO15
InChI InChI=1S/C52H69NO15/c1-10-11-12-13-14-21-26-37(56)65-41-38-30(2)34(64-46(60)40(57)39(32-22-17-15-18-23-32)53-47(61)68-48(4,5)6)28-52(62,49(38,7)8)44(66-45(59)33-24-19-16-20-25-33)42-50(9,43(41)58)35(55)27-36-51(42,29-63-36)67-31(3)54/h15-20,22-25,34-36,39-42,44,55,57,62H,10-14,21,26-29H2,1-9H3,(H,53,61)/t34-,35-,36+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1
InChIKey WEJVXUBXWQFIRQ-PRAKAINVSA-N
Literature Reference Author D.GUENARD,S.THORET,J.DUBOIS,M.T.ADELINE,Q.WANG,F.GUERITTE
Literature Reference Citation BIOORG.MED.CHEM.,8,145(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00279-5
Molecular Weight 948.118 g/mol
Solvent CDCl3
Source File Reference UWVN20067
SpectraBase Batch ID Ifbgdqr44XC