| SpectraBase Compound ID | FAKNL0tsZOi |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-11(10-21)12-4-5-14-13(8-12)15(22)9-16-19(2,18(24)25)7-6-17(23)20(14,16)3/h4-5,8,11,16-17,21,23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,16-,17+,19+,20?/m0/s1 |
| InChIKey | ZDYYIIXQSSOVCZ-DZKBNATKSA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BV1CnbCZ9l6 |
|---|---|
| Name | 1-BETA,16-DIHYDROXY-7-OXODEHYDROABIETIC_ACID;1-BETA,16-DIHYDROXY-7-OXO-DHA |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-11(10-21)12-4-5-14-13(8-12)15(22)9-16-19(2,18(24)25)7-6-17(23)20(14,16)3/h4-5,8,11,16-17,21,23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,16-,17+,19+,20?/m0/s1 |
| InChIKey | ZDYYIIXQSSOVCZ-DZKBNATKSA-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 | 346.423 g/mol |
| Sample ID | 29571 |
| Solvent | CD3CN:D2O |