| SpectraBase Compound ID | 1NRjhu37yz1 |
|---|---|
| InChI | InChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17?,18+,22-,23-,25-/m0/s1 |
| InChIKey | NSVRZISPMRJNOX-WNSLFTFASA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C26H37NO6S |
| Exact Mass | 491.234159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Z4q0fYHrDF |
|---|---|
| Name | 4-DESMETHYL-9-KETO-EPOTHILONE-D;DIASTEREOMER-1 |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37NO6S |
| InChI | InChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17?,18+,22-,23-,25-/m0/s1 |
| InChIKey | NSVRZISPMRJNOX-WNSLFTFASA-N |
| Literature Reference Author | C.M.STARKS,Y.ZHOU,F.LIU,P.J.LICARI |
| Literature Reference Citation | J.NAT.PROD.,66,1313(2003) |
| Literature Reference DOI | 10.1021/np030218+ |
| Molecular Weight | 491.643 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1082 |