![3-DEOXY-3-[(1'S)-2',6',7'-TRIDEOXY-2',6'-IMINO-BETA-D-GLYCERO-L-MANNO-HEPTITOL-1'-YL]-ALPHA-D-GALACTOSE-TRIFLUOROACETATE](/api/spectrum/AUzHtaMzqP2/structure.png?h=300&w=458 "3-DEOXY-3-[(1'S)-2',6',7'-TRIDEOXY-2',6'-IMINO-BETA-D-GLYCERO-L-MANNO-HEPTITOL-1'-YL]-ALPHA-D-GALACTOSE-TRIFLUOROACETATE")
| SpectraBase Compound ID | JpBU3liLmrS |
|---|---|
| InChI | InChI=1S/C13H25NO9.C2HF3O2/c1-3-7(16)12(21)11(20)6(14-3)9(18)5-8(17)4(2-15)23-13(22)10(5)19;3-2(4,5)1(6)7/h3-22H,2H2,1H3;(H,6,7)/t3-,4-,5-,6+,7+,8+,9+,10-,11+,12+,13+;/m1./s1 |
| InChIKey | PKOMTIKTGPNVKC-UJGHFAIKSA-N |
| Mol Weight | 453.36 g/mol |
| Molecular Formula | C15H26F3NO11 |
| Exact Mass | 453.145795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUzHtaMzqP2 |
|---|---|
| Name | 3-DEOXY-3-[(1'S)-2',6',7'-TRIDEOXY-2',6'-IMINO-BETA-D-GLYCERO-L-MANNO-HEPTITOL-1'-YL]-ALPHA-D-GALACTOSE-TRIFLUOROACETATE |
| Compound Number | (-)-2-ALPHA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H26F3NO11 |
| InChI | InChI=1S/C13H25NO9.C2HF3O2/c1-3-7(16)12(21)11(20)6(14-3)9(18)5-8(17)4(2-15)23-13(22)10(5)19;3-2(4,5)1(6)7/h3-22H,2H2,1H3;(H,6,7)/t3-,4-,5-,6+,7+,8+,9+,10-,11+,12+,13+;/m1./s1 |
| InChIKey | PKOMTIKTGPNVKC-UJGHFAIKSA-N |
| Literature Reference Author | A.BAUDAT,P.VOGEL |
| Literature Reference Citation | J.ORG.CHEM.,62,6252(1997) |
| Literature Reference DOI | 10.1021/jo970151t |
| Molecular Weight | 453.367 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ4072 |