| SpectraBase Compound ID | 9jNGathUh5v |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-13(24)27-16-9-14-10-22(11-15(14)12-23)8-5-17-20(2,18(16)22)6-4-7-21(17,3)19(25)26/h11-12,14,16-18H,4-10H2,1-3H3,(H,25,26)/t14-,16+,17+,18+,20-,21-,22+/m1/s1 |
| InChIKey | UKKLQQNAXRBSIP-ZXLONKEPSA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUtFuPPoIFt |
|---|---|
| Name | CROTONKININ_C;ENT-11-BETA-ACETOXY-17-OXOKAUR-15-EN-18-OIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-13(24)27-16-9-14-10-22(11-15(14)12-23)8-5-17-20(2,18(16)22)6-4-7-21(17,3)19(25)26/h11-12,14,16-18H,4-10H2,1-3H3,(H,25,26)/t14-,16+,17+,18+,20-,21-,22+/m1/s1 |
| InChIKey | UKKLQQNAXRBSIP-ZXLONKEPSA-N |
| Literature Reference Author | P.C.KUO,M.L.YANG,T.L.HWANG,Y.Y.LAI,Y.C.LI,T.D.THANG,T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,76,230(2013) |
| Literature Reference DOI | 10.1021/np300699f |
| Molecular Weight | 374.477 g/mol |
| Sample ID | 42174 |
| Solvent | CDCl3 |