| SpectraBase Compound ID | 2KgsUTZR6Nc |
|---|---|
| InChI | InChI=1S/C26H39NO6S/c1-16-10-8-6-7-9-11-21(19(14-28)12-20-15-34-18(3)27-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h7,9,12,15-17,21-22,24,28-29,31H,6,8,10-11,13-14H2,1-5H3/b9-7-,19-12+/t16-,17+,21-,22-,24-/m0/s1 |
| InChIKey | RPXWIALRKLAACL-PNJPVOQVSA-N |
| Mol Weight | 493.7 g/mol |
| Molecular Formula | C26H39NO6S |
| Exact Mass | 493.249809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cKobYkk7DY |
|---|---|
| Name | EPOTHILONE-C9 |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H39NO6S |
| InChI | InChI=1S/C26H39NO6S/c1-16-10-8-6-7-9-11-21(19(14-28)12-20-15-34-18(3)27-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h7,9,12,15-17,21-22,24,28-29,31H,6,8,10-11,13-14H2,1-5H3/b9-7-,19-12+/t16-,17+,21-,22-,24-/m0/s1 |
| InChIKey | RPXWIALRKLAACL-PNJPVOQVSA-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 | 493.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1309 |