SpectraBase Compound ID | uwcvtskI8t |
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InChI | InChI=1S/C27H40Cl2O8/c1-10-14(3)24(31)36-19(13-20(28)26(7,8)33)16(5)18-12-21(29)27(9,34)23(35-17(6)30)22(18)37-25(32)15(4)11-2/h10-11,18-23,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11-/t18-,19+,20+,21+,22+,23+,27-/m0/s1 |
InChIKey | ROPABYFOKXHWBR-WMSGWFQGSA-N |
Mol Weight | 563.5 g/mol |
Molecular Formula | C27H40Cl2O8 |
Exact Mass | 562.210024 g/mol |
SpectraBase Spectrum ID | 1mw1jUZvMnR |
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Name | 2.beta.-Acetoxy-4.alpha.,10-dichloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,11-dihydroxybisabol-7(14)-ene |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H40Cl2O8 |
InChI | InChI=1S/C27H40Cl2O8/c1-10-14(3)24(31)36-19(13-20(28)26(7,8)33)16(5)18-12-21(29)27(9,34)23(35-17(6)30)22(18)37-25(32)15(4)11-2/h10-11,18-23,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11-/t18-,19+,20+,21+,22+,23+,27-/m0/s1 |
InChIKey | ROPABYFOKXHWBR-WMSGWFQGSA-N |
Molecular Weight | 563.515 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])(Cl)[H])(C)C |
SPLASH | splash10-001i-9000000000-14352bd644805daa5366 |
Source of Spectrum | G4-62-1483-4 |
Wiley ID | 1608087 |