| SpectraBase Compound ID | AfvvPUE6Kpp |
|---|---|
| InChI | InChI=1S/C29H36O9/c1-14(30)36-24-21-22(33)28(5,17(26(24,2)3)11-19(31)34-6)16-7-9-27(4)18(29(16)25(21)38-29)12-20(32)37-23(27)15-8-10-35-13-15/h8,10,13,16-18,21,23-25H,7,9,11-12H2,1-6H3/t16-,17+,18-,21-,23+,24-,25-,27-,28-,29-/m1/s1 |
| InChIKey | OEAILFQKPDJEPG-KQOVNBMPSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C29H36O9 |
| Exact Mass | 528.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3F5ymJ752gd |
|---|---|
| Name | XYLOCARPIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O9 |
| InChI | InChI=1S/C29H36O9/c1-14(30)36-24-21-22(33)28(5,17(26(24,2)3)11-19(31)34-6)16-7-9-27(4)18(29(16)25(21)38-29)12-20(32)37-23(27)15-8-10-35-13-15/h8,10,13,16-18,21,23-25H,7,9,11-12H2,1-6H3/t16-,17+,18-,21-,23+,24-,25-,27-,28-,29-/m1/s1 |
| InChIKey | OEAILFQKPDJEPG-KQOVNBMPSA-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 | 528.599 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15301 |