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Epothilone i-2

Compound with spectra: 1 NMR

Epothilone i-2
SpectraBase Compound ID Jj6RTpWjg8G
InChI InChI=1S/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3/b11-9-,19-15+/t18?,20-,21+,24-,25-,27-/m0/s1
InChIKey ZRXGTLZTTTXSFQ-FMVKWOPFSA-N
Mol Weight 519.7 g/mol
Molecular Formula C29H45NO5S
Exact Mass 519.301845 g/mol
Enantiomer InChIKey ZRXGTLZTTTXSFQ-XFBHYFLDSA-N

View Spectrum of Epothilone i-2

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Epothilone i-2
Epothilone c-6
EPOTHILONE-D
10,11-DIDEHYDROEPOTHILONE-D
Epothilone c-9
Epothilone c-5
Epothylone h-2
Epothilone D-5
Epothylone a-8
4-DESMETHYL-9-KETO-EPOTHILONE-D;DIASTEREOMER-1
(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxidanylidene-tetradec-12-ynoic acid
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

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

Epothilone i-2
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