| SpectraBase Compound ID | INSbsV0lvbl |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7+,16-12+/t15-,17?,18+,21-,22-,24-/m0/s1 |
| InChIKey | GGEZPMGQYPDHAV-NKUMXANVSA-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 | 28sHTWgrION |
|---|---|
| Name | TRANS-EPOTHILONE-C1 |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7+,16-12+/t15-,17?,18+,21-,22-,24-/m0/s1 |
| InChIKey | GGEZPMGQYPDHAV-NKUMXANVSA-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 | UWSI1310 |