| SpectraBase Compound ID | 6WctVMrZiIp |
|---|---|
| InChI | InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,35H,15,18-20H2,1-8H3/t25-,32+,33-/m0/s1 |
| InChIKey | JXKKYQPCNJMAHZ-RFQWPUQQSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C33H42O4 |
| Exact Mass | 502.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJcIDuTAqZX |
|---|---|
| Name | (+/-)-CLUSIANONE;LITERATURE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O4 |
| InChI | InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,35H,15,18-20H2,1-8H3/t25-,32+,33-/m0/s1 |
| InChIKey | JXKKYQPCNJMAHZ-RFQWPUQQSA-N |
| Literature Reference Author | V.RODESCHINI,N.M.AHMAD,N.S.SIMPKINS |
| Literature Reference Citation | ORG.LETTERS,8,5283(2006) |
| Literature Reference DOI | 10.1021/ol0620592 |
| Molecular Weight | 502.694 g/mol |
| Sample ID | 53277 |
| Solvent | CDCl3 |