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Epothilone A

View entire compound with spectra: 1 NMR

Epothilone A
SpectraBase Compound ID I7pK6zp9DG4
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+
InChIKey HESCAJZNRMSMJG-XNTDXEJSSA-N
Mol Weight 493.7 g/mol
Molecular Formula C26H39NO6S
Exact Mass 493.249809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5x06H1vZ3oK
Name EPOTHILONE-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39NO6S
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+
InChIKey HESCAJZNRMSMJG-XNTDXEJSSA-N
Literature Reference Author K.GERTH,H.STEINMETZ,G.HOEFLE,H.REICHENBACH
Literature Reference Citation J.ANTIBIOTICS,53,1373(2000)
Literature Reference DOI 10.7164/antibiotics.53.1373
Molecular Weight 493.659 g/mol
Solvent CD3OD
Source File Reference UWRU3967