Basic information
- CAS
5938-03-4- Standard SMILES
C=C1C(=O)OC2CC3(C)CC(O)CC(=C)C3CC12- InChIKey
OVIILQQKQPCQTF-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene- has been reported in Iva imbricata, Iva microcephala, and other organisms with data available.
Names & identifiers
- Preferred name
- Naphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene-
- IUPAC
- 7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
- English name
- ivalin
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-oneNaphtho[2,3-b]furan-2(3H)-one, decahydro-7-hydroxy-8a-methyl-3,5-dimethylene-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-oneivalin
Database identifiers
- CAS
5938-03-4- PubChem CID
- 457941
Properties
Computed structural properties
- XLogP
- 2
- 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
- 439
Physicochemical properties
- LogP
- 1.74 · 1.740 (est)
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Ivalin is a eudesmane sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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