| SpectraBase Compound ID | 4kCq7rcDWl4 |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18-,19+,22-,23-,24+,25-/m1/s1 |
| InChIKey | CSECYHNWAWCJBQ-HUMFMXAESA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EWcEbdYcKj |
|---|---|
| Name | ENT-15-BETA-TIGLOYLOXY-9-ALPHA-HYDROXY-KAUR-16-EN-19-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18-,19+,22-,23-,24+,25-/m1/s1 |
| InChIKey | CSECYHNWAWCJBQ-HUMFMXAESA-N |
| Literature Reference Author | S.MUELLER,C.R.TIRAPELLI,A.M.D.OLIVEIRA,R.MURILLO,V.CASTRO,I. MERFORT |
| Literature Reference Citation | PHYTOCHEM.,63,391(2003) |
| Literature Reference DOI | 10.1016/s0031-9422(03)00073-6 |
| Molecular Weight | 416.558 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU29730 |