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Epothilone A
SpectraBase Compound ID 9tXrNpe0Yf8
InChI InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
InChIKey HESCAJZNRMSMJG-KKQRBIROSA-N
Mol Weight 493.7 g/mol
Molecular Formula C26H39NO6S
Exact Mass 493.249809 g/mol
Enantiomer InChIKey HESCAJZNRMSMJG-XXOAPLQCSA-N
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QE-8-3755-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
New Natural Epothilones from Sorangium cellulosum, Strains So ce90/B2 and So ce90/D13:  Isolation, Structure Elucidation, and SAR Studies Journal of Natural Products 2001

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Wiley Registry of Mass Spectral Data 2023

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