| SpectraBase Compound ID | 7YkddYO1nxu |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-21(17(2)12-19-15-32-18(3)26-19)31-24(30)14-23(29)25(4,5)22(28)13-20(16)27/h7,9,12,15-16,20-21,23,27,29H,6,8,10-11,13-14H2,1-5H3/b9-7-,17-12+/t16-,20+,21-,23-/m0/s1 |
| InChIKey | UBEGTFAXEAHJDQ-DZNFWXJJSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C25H37NO5S |
| Exact Mass | 463.239244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FrLRSf4JBbZ |
|---|---|
| Name | EPOTHILONE-C3 |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-21(17(2)12-19-15-32-18(3)26-19)31-24(30)14-23(29)25(4,5)22(28)13-20(16)27/h7,9,12,15-16,20-21,23,27,29H,6,8,10-11,13-14H2,1-5H3/b9-7-,17-12+/t16-,20+,21-,23-/m0/s1 |
| InChIKey | UBEGTFAXEAHJDQ-DZNFWXJJSA-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 | UWSI1304 |