| SpectraBase Compound ID | AOXwjU303gM |
|---|---|
| InChI | InChI=1S/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10-11,13,15,18,21-22,24,28,30H,7,9,12,14H2,1-6H3/b10-8-,16-11+,17-13+/t18-,21+,22+,24+/m1/s1 |
| InChIKey | MVIPGYRWGVEDHK-DQUVJOKZSA-N |
| Mol Weight | 475.6 g/mol |
| Molecular Formula | C26H37NO5S |
| Exact Mass | 475.239244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CArBR4t3aBi |
|---|---|
| Name | EPOTHILONE-C5 |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37NO5S |
| InChI | InChI=1S/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10-11,13,15,18,21-22,24,28,30H,7,9,12,14H2,1-6H3/b10-8-,16-11+,17-13+/t18-,21+,22+,24+/m1/s1 |
| InChIKey | MVIPGYRWGVEDHK-DQUVJOKZSA-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 | 475.643 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1306 |