| SpectraBase Compound ID | 4qMaR6AklTY |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-4-5-6-7-11-14-19(22)20(24-2)17-16-18-13-10-8-9-12-15-21(23)25-18/h4-5,7-8,10-11,16-20,22H,3,6,9,12-15H2,1-2H3/b5-4-,10-8-,11-7-,17-16+/t18-,19-,20?/m0/s1 |
| InChIKey | QXHLHGKKWDCOOY-PUVVKPRFSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Qzy81k9hJf |
|---|---|
| Name | TOPSENTOLIDE_C1 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-3-4-5-6-7-11-14-19(22)20(24-2)17-16-18-13-10-8-9-12-15-21(23)25-18/h4-5,7-8,10-11,16-20,22H,3,6,9,12-15H2,1-2H3/b5-4-,10-8-,11-7-,17-16+/t18-,19-,20?/m0/s1 |
| InChIKey | QXHLHGKKWDCOOY-PUVVKPRFSA-N |
| Literature Reference Author | X.LUO,F.LI,J.HONG,C.O.LEE,C.J.SIM,K.S.IM,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,69,567(2006) |
| Literature Reference DOI | 10.1021/np0503552 |
| Molecular Weight | 348.483 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18180 |