4a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Basic information
- CAS
94204-15-6- Standard SMILES
C=C1C(=O)OC2CC3(C)CCCC(=C)C3(O)CC12- InChIKey
LIDPBIULZNRIJE-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
4a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one has been reported in Helminthotheca echioides, Carpesium cernuum, and Inula helenium with data available.
Names & identifiers
- Preferred name
- 4a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
- IUPAC
- 4a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Names & synonyms
94204-15-64a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-oneDTXSID003179684a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo(f)(1)benzofuran-2-oneRefChem:296717DTXCID20269091NSC323242SESQUITERPENE LACTONE TS-2NSC-323242DS-002678Naphtho[2, decahydro-4a-hydroxy-8a-methyl-3,5-bis(methylene)-4a-Hydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-b]furan-2(3H)-one
Show more names
Naphtho[2,3-b]furan-2(3H)-one, decahydro-4a-hydroxy-8a-methyl-3, 5-bis(methylene)-
Database identifiers
- CAS
94204-15-6- PubChem CID
- 331387
- DTXSID
DTXSID00317968
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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