| SpectraBase Compound ID | JmmcH5GwZce |
|---|---|
| InChI | InChI=1S/C26H36O12/c1-14(2)8-21(30)36-20-9-19-18(11-33-15(3)27)12-34-24(23(19)26(20,32)13-35-16(4)28)37-22(31)10-25(6,7)38-17(5)29/h9,12,14,20,23-24,32H,8,10-11,13H2,1-7H3/t20-,23+,24-,26+/m0/s1 |
| InChIKey | JARNEKBLBWLHCJ-FKIWKMFDSA-N |
| Mol Weight | 540.6 g/mol |
| Molecular Formula | C26H36O12 |
| Exact Mass | 540.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2H1GhULazrU |
|---|---|
| Name | 10-ACETOXY-1-ACEVALTRATE-HYDRIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O12 |
| InChI | InChI=1S/C26H36O12/c1-14(2)8-21(30)36-20-9-19-18(11-33-15(3)27)12-34-24(23(19)26(20,32)13-35-16(4)28)37-22(31)10-25(6,7)38-17(5)29/h9,12,14,20,23-24,32H,8,10-11,13H2,1-7H3/t20-,23+,24-,26+/m0/s1 |
| InChIKey | JARNEKBLBWLHCJ-FKIWKMFDSA-N |
| Literature Reference Author | Y.TANG,X.LIU,B.YU |
| Literature Reference Citation | J.NAT.PROD.,65,1949(2002) |
| Literature Reference DOI | 10.1021/np0203335 |
| Molecular Weight | 540.565 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16608 |