![2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10,11-trihydroxybisabol-7(14)-ene](/api/spectrum/3v9YuRwhUUw/structure.png?h=300&w=458 "2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10,11-trihydroxybisabol-7(14)-ene")
| SpectraBase Compound ID | EHvuvq87fUb |
|---|---|
| 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(35-17(6)29)22(18)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-/m0/s1 |
| InChIKey | RMZNXWADRNCXQW-WMSGWFQGSA-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 | 3v9YuRwhUUw |
|---|---|
| Name | 2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10,11-trihydroxybisabol-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(35-17(6)29)22(18)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-/m0/s1 |
| InChIKey | RMZNXWADRNCXQW-WMSGWFQGSA-N |
| Molecular Weight | 545.069 g/mol |
| SMILES | OC([C@@](C[C@](C([C@]1([C@]([C@]([C@]([C@@](C1)(Cl)[H])(O)C)(OC(=O)C)[H])(OC(\C(=C/C)C)=O)[H])[H])=C)(OC(\C(=C\C)C)=O)[H])(O)[H])(C)C |
| SPLASH | splash10-001i-9000000000-8130579dc2326327cd05 |
| Source of Spectrum | G4-62-1483-2 |
| Wiley ID | 1608089 |