| SpectraBase Compound ID | KPLTyUpySS5 |
|---|---|
| InChI | InChI=1S/C20H25ClO7/c1-9(4-5-22)18(24)27-13-6-10(2)12-7-14(23)20(26,8-21)16(12)17-15(13)11(3)19(25)28-17/h4,12-17,22-23,26H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m1/s1 |
| InChIKey | QYDZDLCERJLVOK-LFNBDIIPSA-N |
| Mol Weight | 412.87 g/mol |
| Molecular Formula | C20H25ClO7 |
| Exact Mass | 412.128881 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkhltFVUmRr |
|---|---|
| Name | 3-BETA,4-ALPHA-DIHYDROXY-4-BETA-(CHLOROMETHYL)-8-ALPHA-(4-HYDROXYTIGLATE)-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 | C20H25ClO7 |
| InChI | InChI=1S/C20H25ClO7/c1-9(4-5-22)18(24)27-13-6-10(2)12-7-14(23)20(26,8-21)16(12)17-15(13)11(3)19(25)28-17/h4,12-17,22-23,26H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m1/s1 |
| InChIKey | QYDZDLCERJLVOK-LFNBDIIPSA-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 | 412.867 g/mol |
| Solvent | CD2Cl2:DMSO-D6=7:1 |
| Source File Reference | UIAP561 |