| SpectraBase Compound ID | IhjAoZYVmk5 |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12(11-21)13-5-6-15-14(9-13)16(22)10-17-19(15,2)7-4-8-20(17,3)18(23)24/h5-6,9,12,16-17,21-22H,4,7-8,10-11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1 |
| InChIKey | BETVGAOCAIJQOL-QQJWSKILSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74YHLRyFpr3 |
|---|---|
| Name | 7-BETA,16-DIHYDROXY-DHA;7-BETA,16-DIHYDROXYDEHYDROABIETIC_ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12(11-21)13-5-6-15-14(9-13)16(22)10-17-19(15,2)7-4-8-20(17,3)18(23)24/h5-6,9,12,16-17,21-22H,4,7-8,10-11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1 |
| InChIKey | BETVGAOCAIJQOL-QQJWSKILSA-N |
| Literature Reference Author | T.A.VANBEEK,F.W.CLAASSEN,J.DORADO,M.GODEJOHANN,R.SIERRA-ALVA REZ,J.B.P.A.WIJNBERG |
| Literature Reference Citation | J.NAT.PROD.,70,154(2007) |
| Literature Reference DOI | 10.1021/np060325e |
| Molecular Weight | 332.440 g/mol |
| Sample ID | 29567 |
| Solvent | CDCl3:CD3OD |