![Methyl N-[(Z)-8-[4-[(2E)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]-7-hydroxy-8-methyl-3-methylidenenon-4-enyl]carbamate](/api/spectrum/7TwasHJI21r/structure.png?h=300&w=458 "Methyl N-[(Z)-8-[4-[(2E)-hexa-2,5-dienyl]-1,3-thiazol-2-yl]-7-hydroxy-8-methyl-3-methylidenenon-4-enyl]carbamate")
| SpectraBase Compound ID | 2iNBfD5AAHX |
|---|---|
| InChI | InChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10- |
| InChIKey | WOVFSYAJXQSJES-OCBXPSTGSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C22H32N2O3S |
| Exact Mass | 404.213364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TwasHJI21r |
|---|---|
| Name | Mycothiazole |
| CAS Registry Number | 114582-75-1 |
| Comments | APT, DEPT, INE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H32N2O3S |
| InChI | InChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10- |
| InChIKey | WOVFSYAJXQSJES-OCBXPSTGSA-N |
| Instrument Name | SF = 300 MHz |
| Literature Reference | J. Am. Chem. Soc. 110, 4365 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |