| SpectraBase Compound ID | 2W7QtafY2Uv |
|---|---|
| InChI | InChI=1S/C21H31ClN2O7S/c1-12(25)23-15(18(28)31-3)11-32-19(29)21(16(26)13-7-5-4-6-8-13)20(2,30)14(9-10-22)17(27)24-21/h5,7,13-16,26,30H,4,6,8-11H2,1-3H3,(H,23,25)(H,24,27)/t13-,14+,15+,16+,20+,21+/m1/s1 |
| InChIKey | BHQKBUUYUQPHNG-KPJGAVQNSA-N |
| Mol Weight | 491.0 g/mol |
| Molecular Formula | C21H31ClN2O7S |
| Exact Mass | 490.15405 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GsMbp50W0pU |
|---|---|
| Name | BHQKBUUYUQPHNG-KPJGAVQNSA-N |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31ClN2O7S |
| InChI | InChI=1S/C21H31ClN2O7S/c1-12(25)23-15(18(28)31-3)11-32-19(29)21(16(26)13-7-5-4-6-8-13)20(2,30)14(9-10-22)17(27)24-21/h5,7,13-16,26,30H,4,6,8-11H2,1-3H3,(H,23,25)(H,24,27)/t13-,14+,15+,16+,20+,21+/m1/s1 |
| InChIKey | BHQKBUUYUQPHNG-KPJGAVQNSA-N |
| Literature Reference Author | K.A.REED,R.R.MANAM,S.S.MITCHELL,J.XU,S.TEISAN,T.H.CHAO,G.DEY ANAT-YAZDI,S.T.C.NEU |
| Literature Reference Citation | J.NAT.PROD.,70,269(2007) |
| Literature Reference DOI | 10.1021/np0603471 |
| Molecular Weight | 490.999 g/mol |
| Sample ID | 29668 |
| Solvent | DMSO-D6 |