| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj8rDVja8gy |
|---|---|
| Name | EPOTHILONE-I1 |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H43NO5S |
| 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 |
| 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 | 505.713 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1312 |