| SpectraBase Compound ID | 1K162p7QiXi |
|---|---|
| InChI | InChI=1S/C27H41ClO9/c1-10-14(3)24(31)36-19(13-21(30)26(7,8)33)16(5)18-12-20(28)27(9,34)23(22(18)35-17(6)29)37-25(32)15(4)11-2/h10-11,18-23,30,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19?,20+,21?,22+,23+,27-/m1/s1 |
| InChIKey | FQHWQKTUMOPTLA-DWNQWMLRSA-N |
| Mol Weight | 545.1 g/mol |
| Molecular Formula | C27H41ClO9 |
| Exact Mass | 544.243911 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LMRhJdDz4zN |
|---|---|
| Name | 1.beta.-Acetoxy-2.beta.,8-diangeloyloxy-3.beta.,10,11-trihydroxy-4.alpha.-chlorobisabol-7(14)-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41ClO9 |
| InChI | InChI=1S/C27H41ClO9/c1-10-14(3)24(31)36-19(13-21(30)26(7,8)33)16(5)18-12-20(28)27(9,34)23(22(18)35-17(6)29)37-25(32)15(4)11-2/h10-11,18-23,30,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19?,20+,21?,22+,23+,27-/m1/s1 |
| InChIKey | FQHWQKTUMOPTLA-DWNQWMLRSA-N |
| Molecular Weight | 545.069 g/mol |
| SMILES | OC(C(CC(C([C@@]1([C@@]([C@@]([C@@]([C@](C1)(Cl)[H])(O)C)(OC(\C(=C\C)C)=O)[H])(OC(=O)C)[H])[H])=C)OC(\C(=C\C)C)=O)O)(C)C |
| SPLASH | splash10-0a59-9001200000-b2b4d0a3970cb7b86a54 |
| Source of Spectrum | QA-46-189-5 |
| Wiley ID | 863175 |