![[METHYL-3-CHLORO-5-O-(3-CHLOROBENZOYL)-2,3-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-ARABINO-](/api/spectrum/3JFpHLMvPRC/structure.png?h=300&w=458 "[METHYL-3-CHLORO-5-O-(3-CHLOROBENZOYL)-2,3-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-ARABINO-")
| SpectraBase Compound ID | LLdlse5CI9R |
|---|---|
| InChI | InChI=1S/C28H31Cl2NO8/c1-14(2)10-19(21-12-15-6-5-9-20(32)23(15)28(35)37-21)31-26(33)25(24-18(30)13-22(36-3)38-24)39-27(34)16-7-4-8-17(29)11-16/h4-9,11,14,18-19,21-22,24-25,32H,10,12-13H2,1-3H3,(H,31,33)/t18-,19-,21-,22+,24+,25-/m0/s1 |
| InChIKey | MMMFLXABIAPIHR-KDIXXLTNSA-N |
| Mol Weight | 580.46 g/mol |
| Molecular Formula | C28H31Cl2NO8 |
| Exact Mass | 579.142672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JFpHLMvPRC |
|---|---|
| Name | [METHYL-3-CHLORO-5-O-(3-CHLOROBENZOYL)-2,3-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-L-ARABINO- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31Cl2NO8 |
| InChI | InChI=1S/C28H31Cl2NO8/c1-14(2)10-19(21-12-15-6-5-9-20(32)23(15)28(35)37-21)31-26(33)25(24-18(30)13-22(36-3)38-24)39-27(34)16-7-4-8-17(29)11-16/h4-9,11,14,18-19,21-22,24-25,32H,10,12-13H2,1-3H3,(H,31,33)/t18-,19-,21-,22+,24+,25-/m0/s1 |
| InChIKey | MMMFLXABIAPIHR-KDIXXLTNSA-N |
| Literature Reference Author | J.M.DURGNAT,P.VOGEL |
| Literature Reference Citation | HELV.CHIM.ACTA,76,222(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760116 |
| Molecular Weight | 580.462 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS16200 |