5,7-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one
Basic information
- CAS
28230-81-1- Standard SMILES
C=C1C(=O)OC2CC(C)C3C(O)CC(O)C3(C)CC12- InChIKey
BPUNWVGCTMEMKQ-UHFFFAOYSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
5,7-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one has been reported in Gaillardia aristata with data available.
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one
- IUPAC
- 6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Names & synonyms
5,7-Dihydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one68281-25-4(3aR)-3a,4,4a,5,6,7,7aalpha,8,9,9abeta-Decahydro-5alpha,7alpha-dihydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-oneNSC634212NSC634213DTXSID20950952NSC145915NSC-1459155,7-Dihydroxy-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2(3H)-one6,8-dihydroxy-5,8a-dimethyl-1-methylene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Database identifiers
- CAS
28230-81-1- PubChem CID
- 98168
- DTXSID
DTXSID20950952
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
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Related reactions
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Compound notes
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