Chaparrinone
(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.4 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 113.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 22611-34-3 |
|---|---|
| SMILES | CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O |
| InChIKey | VLYMLZRDCSQUQF-RZUZYEBMSA-N |
📖 Product Overview
Chaparrinone (CAS: 22611-34-3) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.4 g/mol. Its IUPAC systematic name is (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione.
VLYMLZRDCSQUQF-RZUZYEBMSA-N.
SMILES: CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O.
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