| SpectraBase Compound ID | FpX0Q2ooGiZ |
|---|---|
| InChI | InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20?,28-,31+/m0/s1 |
| InChIKey | DBFXUHLRCRLMIU-CQGPZTBISA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C31H42O3 |
| Exact Mass | 462.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZKHNVi8Wa0 |
|---|---|
| Name | (ALL-E)-(3S,5R,6R)-PARACENTRONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O3 |
| InChI | InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20?,28-,31+/m0/s1 |
| InChIKey | DBFXUHLRCRLMIU-CQGPZTBISA-N |
| Literature Reference Author | J.A.HAUGAN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2731(1997) |
| Literature Reference DOI | 10.1039/a702545i |
| Molecular Weight | 462.673 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU7863 |