4-Hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione
Basic information
- CAS
17066-68-1- Standard SMILES
C=C1C(=O)OC2C1C(O)CC(C)C1CCC(=O)C12C- InChIKey
XLRYOOUAAMONBB-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
4-Hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione has been reported in Ambrosia confertiflora with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione
- IUPAC
- 4-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
- English name
- (3aR,6aβ,9bβ)-Dodecahydro-4β-hydroxy-6α,9aα-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
17066-68-14-hydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2,9-dione4-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dioneConfertiflorin, deacetyl-NSC137552DTXSID70300549NSC-137552(3aR,6abeta,9bbeta)-Dodecahydro-4beta-hydroxy-6alpha,9aalpha-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dioneDeacetylconfertiflorin(3aR,6aβ,9bβ)-Dodecahydro-4β-hydroxy-6α,9aα-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dioneAzuleno[4,5-b]furan-2,9-dione, decahydro-4-hydroxy-6,9a-dimethyl-3-methylene-, (3aR,4S,6S,6aS,9aR,9bR)-
Database identifiers
- CAS
17066-68-1- PubChem CID
- 283193
- DTXSID
DTXSID70300549
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
LogP0.23
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Related reactions
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Compound notes
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