| SpectraBase Compound ID | 9IcAqFm6ucO |
|---|---|
| InChI | InChI=1S/C23H26Cl2O7/c1-6-7-13-8-12-9-15(26)23(3,21(27)14(12)10-31-13)32-22(28)16-11(2)17(24)20(30-5)18(25)19(16)29-4/h8-9,14,21,27H,6-7,10H2,1-5H3/t14-,21+,23+/m1/s1 |
| InChIKey | CZHCYPZKAVRSGZ-ZGFCVWDJSA-N |
| Mol Weight | 485.36 g/mol |
| Molecular Formula | C23H26Cl2O7 |
| Exact Mass | 484.105559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D8Q7QYrH2qX |
|---|---|
| Name | Falconensins B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26Cl2O7 |
| InChI | InChI=1S/C23H26Cl2O7/c1-6-7-13-8-12-9-15(26)23(3,21(27)14(12)10-31-13)32-22(28)16-11(2)17(24)20(30-5)18(25)19(16)29-4/h8-9,14,21,27H,6-7,10H2,1-5H3/t14-,21+,23+/m1/s1 |
| InChIKey | CZHCYPZKAVRSGZ-ZGFCVWDJSA-N |
| Molecular Weight | 485.360 g/mol |
| SMILES | O[C@]1([C@]2(C(C=C(OC2)CCC)=CC([C@@]1(OC(c1c(c(Cl)c(c(c1C)Cl)OC)OC)=O)C)=O)[H])[H] |
| SPLASH | splash10-0002-0090100000-22499302dd3278dfa2d7 |
| Source of Spectrum | E1-40-3144-2 |
| Synonyms | 3,5-Dichloro-2,4-dimethoxy-6-methylbenzoic acid [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-2-benzopyran-7-yl] ester [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-2,4-dimethoxy-6-methylbenzoate [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-2,4-dimethoxy-6-methyl-benzoate [(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-bis(chloranyl)-2,4-dimethoxy-6-methyl-benzoate |
| Wiley ID | 1551790 |