![2.beta.,10-Diacetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-11-methoxybisabol-7(14)-ene](/api/spectrum/BbtIWMN032L/structure.png?h=300&w=458 "2.beta.,10-Diacetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-11-methoxybisabol-7(14)-ene")
| SpectraBase Compound ID | KMYMHIcHreM |
|---|---|
| InChI | InChI=1S/C30H45ClO10/c1-12-16(3)27(34)40-22(15-24(38-19(6)32)29(8,9)37-11)18(5)21-14-23(31)30(10,36)26(39-20(7)33)25(21)41-28(35)17(4)13-2/h12-13,21-26,36H,5,14-15H2,1-4,6-11H3/b16-12+,17-13-/t21-,22+,23+,24+,25+,26+,30-/m0/s1 |
| InChIKey | LZHUGSHOMINPRP-QAOXWXJDSA-N |
| Mol Weight | 601.1 g/mol |
| Molecular Formula | C30H45ClO10 |
| Exact Mass | 600.270125 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BbtIWMN032L |
|---|---|
| Name | 2.beta.,10-Diacetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-11-methoxybisabol-7(14)-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H45ClO10 |
| InChI | InChI=1S/C30H45ClO10/c1-12-16(3)27(34)40-22(15-24(38-19(6)32)29(8,9)37-11)18(5)21-14-23(31)30(10,36)26(39-20(7)33)25(21)41-28(35)17(4)13-2/h12-13,21-26,36H,5,14-15H2,1-4,6-11H3/b16-12+,17-13-/t21-,22+,23+,24+,25+,26+,30-/m0/s1 |
| InChIKey | LZHUGSHOMINPRP-QAOXWXJDSA-N |
| Molecular Weight | 601.133 g/mol |
| SMILES | O[C@@]1([C@@]([C@@]([C@](C([C@](OC(\C(=C\C)C)=O)(C[C@@](OC(=O)C)(C(OC)(C)C)[H])[H])=C)(C[C@]1(Cl)[H])[H])(OC(\C(=C/C)C)=O)[H])(OC(=O)C)[H])C |
| SPLASH | splash10-00e9-9000000000-2ef105f56cae56814293 |
| Source of Spectrum | G4-62-1482-1 |
| Wiley ID | 1608090 |