| SpectraBase Compound ID | L20MGz5yLaM |
|---|---|
| InChI | InChI=1S/C20H33ClO3/c1-13-6-7-15-18(2,3)16(22)9-10-19(15,4)14(13)8-11-20(5,24)17(23)12-21/h15,17,23-24H,6-12H2,1-5H3/t15-,17?,19+,20+/m1/s1 |
| InChIKey | LAYMOUPGGHBQQW-WJABJETASA-N |
| Mol Weight | 356.9 g/mol |
| Molecular Formula | C20H33ClO3 |
| Exact Mass | 356.211823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZNPyVNJzHe |
|---|---|
| Name | AGALLOCHIN-B;ENT-15-CHLORO-13,14-DIHYDROXYLABD-8(9)-EN-3-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H33ClO3 |
| InChI | InChI=1S/C20H33ClO3/c1-13-6-7-15-18(2,3)16(22)9-10-19(15,4)14(13)8-11-20(5,24)17(23)12-21/h15,17,23-24H,6-12H2,1-5H3/t15-,17?,19+,20+/m1/s1 |
| InChIKey | LAYMOUPGGHBQQW-WJABJETASA-N |
| Literature Reference Author | A.S.R.ANJANEYULU,V.L.RAO |
| Literature Reference Citation | PHYTOCHEM.,55,891(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00251-X |
| Molecular Weight | 356.933 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2688 |