| SpectraBase Compound ID | p4DDeFLIvF |
|---|---|
| InChI | InChI=1S/C20H20O13/c21-5-7-1-11(24)18(12(25)2-7)33-20-17(29)16(28)15(27)13(32-20)6-31-19(30)8-3-9(22)14(26)10(23)4-8/h1-5,13,15-17,20,22-29H,6H2/t13-,15-,16+,17-,20+/m0/s1 |
| InChIKey | QNCVLUMAFVDLOF-RAPQVLNZSA-N |
| Mol Weight | 468.37 g/mol |
| Molecular Formula | C20H20O13 |
| Exact Mass | 468.090391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InkVJRlz4YP |
|---|---|
| Name | NEOCRETANIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H20O13 |
| InChI | InChI=1S/C20H20O13/c21-5-7-1-11(24)18(12(25)2-7)33-20-17(29)16(28)15(27)13(32-20)6-31-19(30)8-3-9(22)14(26)10(23)4-8/h1-5,13,15-17,20,22-29H,6H2/t13-,15-,16+,17-,20+/m0/s1 |
| InChIKey | QNCVLUMAFVDLOF-RAPQVLNZSA-N |
| Literature Reference Author | T.OZAWA,Y.TAKINO |
| Literature Reference Citation | AGR.BIOL.CHEM.,43,1173(1979) |
| Literature Reference DOI | 10.1271/bbb1961.43.1173 |
| Molecular Weight | 468.371 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT8583 |