| SpectraBase Compound ID | 61m70F9PAFh |
|---|---|
| InChI | InChI=1S/C20H28O11/c1-8-3-4-10-11(18(26)27)6-29-19(14(8)10)31-20-17(25)16(24)15(23)12(30-20)7-28-13(22)5-9(2)21/h6,8,10,12,14-17,19-20,23-25H,3-5,7H2,1-2H3,(H,26,27)/t8-,10-,12-,14-,15-,16+,17-,19+,20+/m0/s1 |
| InChIKey | RDMGINNQVJWYJG-MFVLKFGESA-N |
| Mol Weight | 444.43 g/mol |
| Molecular Formula | C20H28O11 |
| Exact Mass | 444.163162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bXQ3Dbbkx3 |
|---|---|
| Name | 6'-O-ACETOACETYL-1,5,9-EPIDEOXYLOGANIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O11 |
| InChI | InChI=1S/C20H28O11/c1-8-3-4-10-11(18(26)27)6-29-19(14(8)10)31-20-17(25)16(24)15(23)12(30-20)7-28-13(22)5-9(2)21/h6,8,10,12,14-17,19-20,23-25H,3-5,7H2,1-2H3,(H,26,27)/t8-,10-,12-,14-,15-,16+,17-,19+,20+/m0/s1 |
| InChIKey | RDMGINNQVJWYJG-MFVLKFGESA-N |
| Literature Reference Author | T.NAGY,A.KOCSIS,M.MORVAI,L.F.SZABO,B.PODANYI,A.GERGELY,G.JER KOVICH |
| Literature Reference Citation | PHYTOCHEM.,47,1067(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00696-1 |
| Molecular Weight | 444.436 g/mol |
| Solvent | CH3OD |
| Source File Reference | UWMS448 |