| SpectraBase Compound ID | EBVIbL2cuJI |
|---|---|
| InChI | InChI=1S/C31H41ClN2O9/c1-16(2)28(36)42-24-14-25(35)33-20-12-19(13-21(39-6)26(20)32)11-17(3)9-8-10-23(40-7)31(38)15-22(41-29(37)34-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,38H,11,14-15H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,17-9+ |
| InChIKey | BOYNDXJJKZMFBK-CCLXQDPASA-N |
| Mol Weight | 621.1 g/mol |
| Molecular Formula | C31H41ClN2O9 |
| Exact Mass | 620.250059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWRalCwt1LB |
|---|---|
| Name | N-DEMETHYL-ANSAMITOCIN-P3 |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H41ClN2O9 |
| InChI | InChI=1S/C31H41ClN2O9/c1-16(2)28(36)42-24-14-25(35)33-20-12-19(13-21(39-6)26(20)32)11-17(3)9-8-10-23(40-7)31(38)15-22(41-29(37)34-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,38H,11,14-15H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,17-9+ |
| InChIKey | BOYNDXJJKZMFBK-CCLXQDPASA-N |
| Literature Reference Author | P.SPITELLER,L.BAI,G.SHANG,B.J.CAROLL,T.W.YU,H.G.FLOSS |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,14236(2003) |
| Literature Reference DOI | 10.1021/ja038166y |
| Molecular Weight | 621.128 g/mol |
| Sample ID | 35466 |
| Solvent | CD3OD |