| SpectraBase Compound ID | 1N4x0IGQXft |
|---|---|
| InChI | InChI=1S/C22H34N2O5S/c1-5-6-7-8-10-17-15-30-19(24-17)21(2,3)18(26)11-9-12-22(28,16-25)13-14-23-20(27)29-4/h5,7-9,12,15,18,25-26,28H,1,6,10-11,13-14,16H2,2-4H3,(H,23,27)/b8-7-,12-9+/t18-,22?/m0/s1 |
| InChIKey | RLXUGGXKLZEBBM-ZZIRFIJCSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C22H34N2O5S |
| Exact Mass | 438.218843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30h4VgBH106 |
|---|---|
| Name | MYCOTHIAZOLE-4,19-DIOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34N2O5S |
| InChI | InChI=1S/C22H34N2O5S/c1-5-6-7-8-10-17-15-30-19(24-17)21(2,3)18(26)11-9-12-22(28,16-25)13-14-23-20(27)29-4/h5,7-9,12,15,18,25-26,28H,1,6,10-11,13-14,16H2,2-4H3,(H,23,27)/b8-7-,12-9+/t18-,22?/m0/s1 |
| InChIKey | RLXUGGXKLZEBBM-ZZIRFIJCSA-N |
| Literature Reference Author | R.N.SONNENSCHEIN,T.A.JOHNSON,K.TENNEY,F.A.VALERIOTE,P.CREWS |
| Literature Reference Citation | J.NAT.PROD.,69,145(2006) |
| Literature Reference DOI | 10.1021/np0503597 |
| Molecular Weight | 438.582 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ16728 |