| SpectraBase Compound ID | 66bvENswb9R |
|---|---|
| InChI | InChI=1S/C40H40O9/c1-20(2)6-7-23(21(3)4)16-30-39-35(31(45)19-33(48-39)29-13-12-26(42)18-32(29)47-5)37(46)36-34(24-14-27(43)17-28(44)15-24)38(49-40(30)36)22-8-10-25(41)11-9-22/h6,8-15,17-18,23,33-34,38,41-44,46H,3,7,16,19H2,1-2,4-5H3/t23?,33-,34-,38+/m0/s1 |
| InChIKey | QXJNTDXKZVNKDH-CYXBZXPJSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C40H40O9 |
| Exact Mass | 664.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SsAOnxbTm2 |
|---|---|
| Name | ALOPECURONE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H40O9 |
| InChI | InChI=1S/C40H40O9/c1-20(2)6-7-23(21(3)4)16-30-39-35(31(45)19-33(48-39)29-13-12-26(42)18-32(29)47-5)37(46)36-34(24-14-27(43)17-28(44)15-24)38(49-40(30)36)22-8-10-25(41)11-9-22/h6,8-15,17-18,23,33-34,38,41-44,46H,3,7,16,19H2,1-2,4-5H3/t23?,33-,34-,38+/m0/s1 |
| InChIKey | QXJNTDXKZVNKDH-CYXBZXPJSA-N |
| Literature Reference Author | M.IINUMA,M.OHYAMA,T.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,38,519(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00720-E |
| Molecular Weight | 664.752 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS4830 |