| SpectraBase Compound ID | DhgcScxHwqk |
|---|---|
| InChI | InChI=1S/C22H27ClO8/c1-10(5-6-29-13(4)24)20(26)30-15-7-11(2)14-8-16(25)22(28,9-23)18(14)19-17(15)12(3)21(27)31-19/h5,14-19,25,28H,2-3,6-9H2,1,4H3/b10-5+/t14-,15-,16-,17+,18-,19-,22+/m1/s1 |
| InChIKey | HHJVKRNLEVFVRT-ROWKNUFLSA-N |
| Mol Weight | 454.9 g/mol |
| Molecular Formula | C22H27ClO8 |
| Exact Mass | 454.139446 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NrrjZ1ktQV |
|---|---|
| Name | 3-BETA,4-ALPHA-DIHYDROXY-4-BETA-(CHLOROMETHYL)-8-ALPHA-(4-ACETOXYTIGLATE)-1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H-GUAI-10(14),11(13)-DIEN-6,12-OLIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27ClO8 |
| InChI | InChI=1S/C22H27ClO8/c1-10(5-6-29-13(4)24)20(26)30-15-7-11(2)14-8-16(25)22(28,9-23)18(14)19-17(15)12(3)21(27)31-19/h5,14-19,25,28H,2-3,6-9H2,1,4H3/b10-5+/t14-,15-,16-,17+,18-,19-,22+/m1/s1 |
| InChIKey | HHJVKRNLEVFVRT-ROWKNUFLSA-N |
| Literature Reference Author | D.YOUSSEF,A.W.FRAHM |
| Literature Reference Citation | PLANTA.MED.,60,267(1994) |
| Literature Reference DOI | 10.1055/s-2006-959473 |
| Molecular Weight | 454.905 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP560 |