beta-Cyclocostunolide
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Basic information
- CAS
2221-82-1- Standard SMILES
C=C1CCC[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12- InChIKey
XUYAKPXYKQEFPD-SFDCQRBFSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- beta-Cyclocostunolide
- IUPAC
- (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
- English name
- (3aS)-3a,4,5,5a,6,7,8,9,9aβ,9bα-Decahydro-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
- Molecular formula
- C15H20O2
- Molecular weight
- 232.3181
Names & synonyms
beta-Cyclocostunolide2221-82-1DTXSID60331766(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylene-3a,4,5,6,7,8,9a,9b-octahydrobenzo(g)benzofuran-2-one(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-2-one(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo(g)(1)benzofuran-2-oneRefChem:1079633DTXCID60282860CID 442192C09384CHEMBL4759939
Show more names
(3aS)-3a,4,5,5a,6,7,8,9,9aβ,9bα-Decahydro-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
SCHEMBL15941718CHEBI:10364Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-dimethylene-, (3aS,5aR,9aS,9bS)-Q27108625(3aS,5aR,9aS,9bS)-5a-Methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one
Database identifiers
- CAS
2221-82-1- PubChem CID
- 442192
- DTXSID
DTXSID60331766- ChEMBL
CHEMBL4759939- ChEBI
CHEBI:10364- Nikkaji
- J15.095I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 409
Chemistry & industry
Additional notes
DefinitionChEBI: Beta-Cyclocostunolide is a naphthofuran.
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Compound notes
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