| SpectraBase Compound ID | 4bnaGNbBqGN |
|---|---|
| InChI | InChI=1S/C26H35ClN2O5/c1-16-6-5-7-23(33-4)24(34-26(28)32)9-8-17(2)10-18(3)22(30)15-25(31)29-21-13-19(11-16)12-20(27)14-21/h5-7,10,12-14,17,22-24,30H,8-9,11,15H2,1-4H3,(H2,28,32)(H,29,31)/b7-5+,16-6+,18-10+/t17-,22+,23-,24?/m1/s1 |
| InChIKey | TVDVVKAHOXFTEY-QTJADBNESA-N |
| Mol Weight | 491.0 g/mol |
| Molecular Formula | C26H35ClN2O5 |
| Exact Mass | 490.22345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBRYOBQ8HKn |
|---|---|
| Name | 7-DEOXY-9-HYDRO-9-O-CARBAMOYL-20-CHLORO-PROANSAMITOCIN |
| Compound Number | 11H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H35ClN2O5 |
| InChI | InChI=1S/C26H35ClN2O5/c1-16-6-5-7-23(33-4)24(34-26(28)32)9-8-17(2)10-18(3)22(30)15-25(31)29-21-13-19(11-16)12-20(27)14-21/h5-7,10,12-14,17,22-24,30H,8-9,11,15H2,1-4H3,(H2,28,32)(H,29,31)/b7-5+,16-6+,18-10+/t17-,22+,23-,24?/m1/s1 |
| InChIKey | TVDVVKAHOXFTEY-QTJADBNESA-N |
| Literature Reference Author | T.KNOBLOCH,G.DRAEGER,W.COLLISI,F.SASSE,A.KIRSCHNING |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,861(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.96 |
| Molecular Weight | 491.027 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR10585 |