| SpectraBase Compound ID | FXq9cpZlkER |
|---|---|
| InChI | InChI=1S/C29H40O5/c1-20(18-26(31)32)6-13-24-21(2)7-14-25-28(3,16-5-17-29(24,25)4)19-34-27(33)15-10-22-8-11-23(30)12-9-22/h8-12,15,20,24-25,30H,2,5-7,13-14,16-19H2,1,3-4H3,(H,31,32)/b15-10+/t20-,24+,25+,28-,29-/m0/s1 |
| InChIKey | YCHBREPSJXLSOJ-XGIOPHJLSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C29H40O5 |
| Exact Mass | 468.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WoyWXGzTyt |
|---|---|
| Name | (13S)-ENT-(18E)-COUMAROYLOXY-8(17)-LABDEN-15-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O5 |
| InChI | InChI=1S/C29H40O5/c1-20(18-26(31)32)6-13-24-21(2)7-14-25-28(3,16-5-17-29(24,25)4)19-34-27(33)15-10-22-8-11-23(30)12-9-22/h8-12,15,20,24-25,30H,2,5-7,13-14,16-19H2,1,3-4H3,(H,31,32)/b15-10+/t20-,24+,25+,28-,29-/m0/s1 |
| InChIKey | YCHBREPSJXLSOJ-XGIOPHJLSA-N |
| Literature Reference Author | L.MAMBU,P.GRELLIER,L.FLORENT,R.JOYEAU,D.RAMANITRAHASIMBOLA,P .RASOANAIVO,F.FRAPPI |
| Literature Reference Citation | PHYTOCHEM.,67,444(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.024 |
| Molecular Weight | 468.634 g/mol |
| Sample ID | 66055 |
| Solvent | CDCl3 |