| SpectraBase Compound ID | FGfVWTzcTiw |
|---|---|
| InChI | InChI=1S/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15-,16+,17-,18-,21+,36?/m0/s1 |
| InChIKey | DISXKJJDDVRQSD-QYYXCYLPSA-N |
| Mol Weight | 563.7 g/mol |
| Molecular Formula | C23H37N3O7S3 |
| Exact Mass | 563.179364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZRoif2MqdW |
|---|---|
| Name | SPIRUCHOSTATIN_C;NSC_754830 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H37N3O7S3 |
| InChI | InChI=1S/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15-,16+,17-,18-,21+,36?/m0/s1 |
| InChIKey | DISXKJJDDVRQSD-QYYXCYLPSA-N |
| Literature Reference Author | P.KLAUSMEYER,S.M.SHIPLEY,K.M.ZUCK,T.G.MCCLOUD |
| Literature Reference Citation | J.NAT.PROD.,74,2039(2011) |
| Literature Reference DOI | 10.1021/np200532d |
| Molecular Weight | 563.743 g/mol |
| Sample ID | 39296 |
| Solvent | CDCl3:CD3OD=9:1 |