| SpectraBase Compound ID | 2YeCNyIQtaA |
|---|---|
| InChI | InChI=1S/C20H28O5/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/h4-5,8,11,15-17,21-23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,15-,16+,17-,19-,20-/m1/s1 |
| InChIKey | UDBCKSBBABXXHY-SBHXCJRJSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YZOm7x4Vjx |
|---|---|
| Name | DEHYDROABIETIC_ACID-7-ALPHA,16-TRIHYDROXY-DHA;1-BETA,7-ALPHA,16-TRIHYDROXYDEHYDROABIETIC_ACID |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/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/h4-5,8,11,15-17,21-23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,15-,16+,17-,19-,20-/m1/s1 |
| InChIKey | UDBCKSBBABXXHY-SBHXCJRJSA-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 | 348.439 g/mol |
| Sample ID | 29570 |
| Solvent | CD3CN:D2O |