![[4-AMINO-2-O-(3-CHLOROBENZOYL)-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-HEXARO-6,](/api/spectrum/J5hqc6WHp1B/structure.png?h=300&w=458 "[4-AMINO-2-O-(3-CHLOROBENZOYL)-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-HEXARO-6,")
| SpectraBase Compound ID | L8xkI1Xe21r |
|---|---|
| InChI | InChI=1S/C27H29ClN2O8/c1-13(2)9-18(20-11-14-5-4-8-19(31)22(14)27(35)36-20)30-25(33)24(23-17(29)12-21(32)37-23)38-26(34)15-6-3-7-16(28)10-15/h3-8,10,13,17-18,20,23-24,31H,9,11-12,29H2,1-2H3,(H,30,33)/t17-,18+,20+,23-,24+/m1/s1 |
| InChIKey | KQMYURPUGCOMNF-VATNFZNESA-N |
| Mol Weight | 544.99 g/mol |
| Molecular Formula | C27H29ClN2O8 |
| Exact Mass | 544.161244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5hqc6WHp1B |
|---|---|
| Name | [4-AMINO-2-O-(3-CHLOROBENZOYL)-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-HEXARO-6, |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H29ClN2O8 |
| InChI | InChI=1S/C27H29ClN2O8/c1-13(2)9-18(20-11-14-5-4-8-19(31)22(14)27(35)36-20)30-25(33)24(23-17(29)12-21(32)37-23)38-26(34)15-6-3-7-16(28)10-15/h3-8,10,13,17-18,20,23-24,31H,9,11-12,29H2,1-2H3,(H,30,33)/t17-,18+,20+,23-,24+/m1/s1 |
| InChIKey | KQMYURPUGCOMNF-VATNFZNESA-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 | 544.989 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS16205 |