| SpectraBase Compound ID | DJzuC5rVf1s |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-11(2)12-5-6-14-13(9-12)15(21)10-16-19(3,18(23)24)8-7-17(22)20(14,16)4/h5-6,9,11,15-17,21-22H,7-8,10H2,1-4H3,(H,23,24)/t15-,16+,17-,19-,20-/m1/s1 |
| InChIKey | VBGYFFVTLRYZMI-JEIKXUOUSA-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 | L0wEK8jKaZJ |
|---|---|
| Name | 1-BETA,7-ALPHA-DIHYDROXY-DHA;1-BETA,7-ALPHA-DIHYDROXYDEHYDROABIETIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-11(2)12-5-6-14-13(9-12)15(21)10-16-19(3,18(23)24)8-7-17(22)20(14,16)4/h5-6,9,11,15-17,21-22H,7-8,10H2,1-4H3,(H,23,24)/t15-,16+,17-,19-,20-/m1/s1 |
| InChIKey | VBGYFFVTLRYZMI-JEIKXUOUSA-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 | 29565 |
| Solvent | CDCl3 |