| SpectraBase Compound ID | 9qgWtFxwy2D |
|---|---|
| InChI | InChI=1S/C31H44O10/c1-9-10-11-12-13-17(2)26-30(41-22(7)35)28(37)25-27(31(26,8)24(36)14-15-38-19(4)32)23(39-20(5)33)16-18(3)29(25)40-21(6)34/h14-15,17-18,23,25,27,29H,9-13,16H2,1-8H3/b15-14+/t17-,18+,23-,25+,27+,29+,31+/m1/s1 |
| InChIKey | AZZLLLAHFVSTEO-PAEHUZKOSA-N |
| Mol Weight | 576.7 g/mol |
| Molecular Formula | C31H44O10 |
| Exact Mass | 576.293448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yIY6xAjYBP |
|---|---|
| Name | AUSTRALIFUNGIN-TETRAACETATE;MAJOR-CONFORMERE |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O10 |
| InChI | InChI=1S/C31H44O10/c1-9-10-11-12-13-17(2)26-30(41-22(7)35)28(37)25-27(31(26,8)24(36)14-15-38-19(4)32)23(39-20(5)33)16-18(3)29(25)40-21(6)34/h14-15,17-18,23,25,27,29H,9-13,16H2,1-8H3/b15-14+/t17-,18+,23-,25+,27+,29+,31+/m1/s1 |
| InChIKey | AZZLLLAHFVSTEO-PAEHUZKOSA-N |
| Literature Reference Author | O.D.HENSENS,G.L.HELMS,E.T.TURNER-JONES,G.H.HARRIS |
| Literature Reference Citation | J.ORG.CHEM.,60,1772(1995) |
| Literature Reference DOI | 10.1021/jo00111a040 |
| Molecular Weight | 576.684 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWGE652 |