| SpectraBase Compound ID | 6jjaBJCZMF8 |
|---|---|
| InChI | InChI=1S/C24H31Cl2N3O10S/c1-3-12(22(35)13-4-6-16(21(26)20(13)25)39-9-19(33)34)10-40-11-15(23(36)29(2)8-18(31)32)28-17(30)7-5-14(27)24(37)38/h4,6,12,14-15H,3,5,7-11,27H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)(H,37,38)/t12?,14-,15+/m1/s1 |
| InChIKey | IVBSIWRHAHPCGY-UCWKZMIHSA-N |
| Mol Weight | 624.49 g/mol |
| Molecular Formula | C24H31Cl2N3O10S |
| Exact Mass | 623.110721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoFb6LpITtX |
|---|---|
| Name | IVBSIWRHAHPCGY-UCWKZMIHSA-N |
| Compound Number | II |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H31Cl2N3O10S |
| InChI | InChI=1S/C24H31Cl2N3O10S/c1-3-12(22(35)13-4-6-16(21(26)20(13)25)39-9-19(33)34)10-40-11-15(23(36)29(2)8-18(31)32)28-17(30)7-5-14(27)24(37)38/h4,6,12,14-15H,3,5,7-11,27H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)(H,37,38)/t12?,14-,15+/m1/s1 |
| InChIKey | IVBSIWRHAHPCGY-UCWKZMIHSA-N |
| Literature Reference Author | D.BURG,D.V.FILIPPOV,R.HERMANNS,G.A.V.D.MAREL,J.H.V.BOOM,G.J. MULDER |
| Literature Reference Citation | BIOORG.MED.CHEM.,10,195(2002) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00269-3 |
| Molecular Weight | 624.490 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU31209 |