| SpectraBase Compound ID | 9ZK81VTJJtG |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1 |
| InChIKey | BQWMEQIBCWMVHJ-KBOCJPGHSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C25H37NO5S |
| Exact Mass | 463.239244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WjEUHliAAk |
|---|---|
| Name | EPOTHILONE-C4 |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1 |
| InChIKey | BQWMEQIBCWMVHJ-KBOCJPGHSA-N |
| Literature Reference Author | I.H.HARDT,H.STEINMETZ,K.GERTH,F.SASSE,H.REICHENBACH,G.HOEFLE |
| Literature Reference Citation | J.NAT.PROD.,64,847(2001) |
| Literature Reference DOI | 10.1021/np000629f |
| Molecular Weight | 463.632 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1305 |