Epothilone i-1
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 4TRKE9ycf7F |
|---|---|
| InChI | InChI=1S/C28H43NO5S/c1-18-13-11-9-7-8-10-12-14-23(19(2)15-22-17-35-21(4)29-22)34-25(31)16-24(30)28(5,6)27(33)20(3)26(18)32/h10,12,15,17-18,20,23-24,26,30,32H,7-9,11,13-14,16H2,1-6H3/b12-10-,19-15+/t18-,20+,23-,24-,26-/m0/s1 |
| InChIKey | MLQWYAQKRLGGTG-ZBUSTYTQSA-N |
| Mol Weight | 505.7 g/mol |
| Molecular Formula | C28H43NO5S |
| Exact Mass | 505.286195 g/mol |
| Enantiomer InChIKey | MLQWYAQKRLGGTG-UOPNODPRSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
(4S,7R,8S,9S,16S)-4,8-Dihydro-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione
Epothilone C
Epothylone h-1
EPOTHILONE-H1
Epothylone h-2
Epothilone I5
4-DESMETHYL-10,11-DIDEHYDROEPOTHILONE-D
(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxidanylidene-tridec-12-enoic acid
(3S,6R,7S,8S)-1,3,7-Tri(tert-butyldimethylsilyloxy)-4,4,6,8-tetramethyl-12-tridecen-5-one
(3S,6R,7S,8S)-1,3,7-Tris-(tert-butyldimethylsilyloxy)-4,4,6,8-tetramethyltetradec-12-yne-5-one
| 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.