| SpectraBase Compound ID | DretQsCNOto |
|---|---|
| InChI | InChI=1S/C31H40O9/c1-15(2)27(35)39-25-22-23(34)30(6,18(28(25,3)4)12-20(32)36-7)17-8-10-29(5)19(31(17)26(22)40-31)13-21(33)38-24(29)16-9-11-37-14-16/h9,11,14-15,17-19,22,24-26H,8,10,12-13H2,1-7H3/t17-,18+,19-,22-,24+,25-,26-,29-,30-,31-/m1/s1 |
| InChIKey | NRXNVWXPDDCBRT-IPKIRAIOSA-N |
| Mol Weight | 556.7 g/mol |
| Molecular Formula | C31H40O9 |
| Exact Mass | 556.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ID212O4EI1g |
|---|---|
| Name | RUAGEANIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O9 |
| InChI | InChI=1S/C31H40O9/c1-15(2)27(35)39-25-22-23(34)30(6,18(28(25,3)4)12-20(32)36-7)17-8-10-29(5)19(31(17)26(22)40-31)13-21(33)38-24(29)16-9-11-37-14-16/h9,11,14-15,17-19,22,24-26H,8,10,12-13H2,1-7H3/t17-,18+,19-,22-,24+,25-,26-,29-,30-,31-/m1/s1 |
| InChIKey | NRXNVWXPDDCBRT-IPKIRAIOSA-N |
| Literature Reference Author | B.S.MOOTOO,R.RAMSEWAK,A.KHAN,W.F.TINTO,W.F.REYNOLDS,S.MCLEAN ,M.YU |
| Literature Reference Citation | J.NAT.PROD.,59,544(1996) |
| Literature Reference DOI | 10.1021/np960139g |
| Molecular Weight | 556.653 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15302 |