| SpectraBase Compound ID | 9NtUIokczl5 |
|---|---|
| InChI | InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14?,16+,17-,19-,20-,21+/m1/s1 |
| InChIKey | PUZNAAVWFXQUDM-RCWCWCJCSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C21H36O5 |
| Exact Mass | 368.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pqoofKIq4F |
|---|---|
| Name | BETAENONE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O5 |
| InChI | InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14?,16+,17-,19-,20-,21+/m1/s1 |
| InChIKey | PUZNAAVWFXQUDM-RCWCWCJCSA-N |
| Literature Reference Author | G.BRAUERS,R.A.EDRADA,R.EBEL,P.PROKSCH,V.WRAY,A.BERG,U.GRAEFE ,C.SCHAECHTELE,F.TOT |
| Literature Reference Citation | J.NAT.PROD.,63,739(2000) |
| Literature Reference DOI | 10.1021/np9905259 |
| Molecular Weight | 368.514 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU8212 |