| SpectraBase Compound ID | KUuEnRA9Pmt |
|---|---|
| InChI | InChI=1S/C25H34ClNO4/c1-16-6-5-7-24(31-4)22(28)9-8-17(2)10-18(3)23(29)15-25(30)27-21-13-19(11-16)12-20(26)14-21/h5-7,10,12-14,17,22-24,28-29H,8-9,11,15H2,1-4H3,(H,27,30)/b7-5+,16-6+,18-10+/t17-,22?,23+,24-/m1/s1 |
| InChIKey | LNBGSCVTDVPRRI-HDLMQHSSSA-N |
| Mol Weight | 448.0 g/mol |
| Molecular Formula | C25H34ClNO4 |
| Exact Mass | 447.217636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVyaxvX3Jde |
|---|---|
| Name | 7-DEOXY-9-HYDRO-20-CHLORO-PROANSAMITOCIN |
| Compound Number | 11 G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34ClNO4 |
| InChI | InChI=1S/C25H34ClNO4/c1-16-6-5-7-24(31-4)22(28)9-8-17(2)10-18(3)23(29)15-25(30)27-21-13-19(11-16)12-20(26)14-21/h5-7,10,12-14,17,22-24,28-29H,8-9,11,15H2,1-4H3,(H,27,30)/b7-5+,16-6+,18-10+/t17-,22?,23+,24-/m1/s1 |
| InChIKey | LNBGSCVTDVPRRI-HDLMQHSSSA-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 | 448.002 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR10584 |