7-Oxohinokinin

Chemical Information
(3S,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-(2H-1,3-benzodioxole-5-carbonyl)oxolan-2-one has been reported in Calocedrus formosana, Juniperus chinensis, and Chamaecyparis obtusa with data available.
| CAS Number | 130837-92-2 |
| PubChem CID | 14757943 |
| IUPAC Name | (3S,4R)-3-(1,3-benzodioxole-5-carbonyl)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one |
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.3 |
| XLogP | 3.3 |
| Topological Polar Surface Area | 80.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 593 |
| Property | Value |
|---|---|
| Molecular Weight | 368.3 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 368.08960285 |
| Monoisotopic Mass | 368.08960285 |
| Topological Polar Surface Area | 80.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 593 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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