![4-[(3-CHLOROBENZOYL)-AMINO]-4,5-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-RIBO-HEXAR-](/api/spectrum/IVHluJY4co0/structure.png?h=300&w=458 "4-[(3-CHLOROBENZOYL)-AMINO]-4,5-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-RIBO-HEXAR-")
| SpectraBase Compound ID | DoOi6rkAutt |
|---|---|
| InChI | InChI=1S/C27H31ClN2O9/c1-13(2)9-17(20-11-14-5-4-8-19(31)22(14)27(38)39-20)29-26(37)24(35)23(34)18(12-21(32)33)30-25(36)15-6-3-7-16(28)10-15/h3-8,10,13,17-18,20,23-24,31,34-35H,9,11-12H2,1-2H3,(H,29,37)(H,30,36)(H,32,33)/t17-,18?,20-,23-,24-/m0/s1 |
| InChIKey | AZMSGRLPBILLHT-ZCQDEKSWSA-N |
| Mol Weight | 563.0 g/mol |
| Molecular Formula | C27H31ClN2O9 |
| Exact Mass | 562.171808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVHluJY4co0 |
|---|---|
| Name | 4-[(3-CHLOROBENZOYL)-AMINO]-4,5-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-RIBO-HEXAR- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31ClN2O9 |
| InChI | InChI=1S/C27H31ClN2O9/c1-13(2)9-17(20-11-14-5-4-8-19(31)22(14)27(38)39-20)29-26(37)24(35)23(34)18(12-21(32)33)30-25(36)15-6-3-7-16(28)10-15/h3-8,10,13,17-18,20,23-24,31,34-35H,9,11-12H2,1-2H3,(H,29,37)(H,30,36)(H,32,33)/t17-,18?,20-,23-,24-/m0/s1 |
| InChIKey | AZMSGRLPBILLHT-ZCQDEKSWSA-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 | 563.004 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS16206 |