| SpectraBase Compound ID | 80bt7zIFTbi |
|---|---|
| InChI | InChI=1S/C39H38O9/c1-19(2)5-6-22(20(3)4)15-29-38-34(31(45)18-32(47-38)28-12-11-25(41)17-30(28)44)36(46)35-33(23-13-26(42)16-27(43)14-23)37(48-39(29)35)21-7-9-24(40)10-8-21/h5,7-14,16-17,22,32-33,37,40-44,46H,3,6,15,18H2,1-2,4H3/t22?,32-,33-,37+/m0/s1 |
| InChIKey | UVQKYQGWGMUDAI-GCOCXCTMSA-N |
| Mol Weight | 650.7 g/mol |
| Molecular Formula | C39H38O9 |
| Exact Mass | 650.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GETmIfdR1y |
|---|---|
| Name | ALOPECURONE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H38O9 |
| InChI | InChI=1S/C39H38O9/c1-19(2)5-6-22(20(3)4)15-29-38-34(31(45)18-32(47-38)28-12-11-25(41)17-30(28)44)36(46)35-33(23-13-26(42)16-27(43)14-23)37(48-39(29)35)21-7-9-24(40)10-8-21/h5,7-14,16-17,22,32-33,37,40-44,46H,3,6,15,18H2,1-2,4H3/t22?,32-,33-,37+/m0/s1 |
| InChIKey | UVQKYQGWGMUDAI-GCOCXCTMSA-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 | 650.725 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS4827 |