Basic information
- CAS
35682-60-1- Standard SMILES
C=C1C(=O)OC2C1C(OC(=O)c1ccoc1)CC1(CO1)C1CC=C(C)C21- InChIKey
MBOFXHVWIFULMC-UHFFFAOYSA-N- Molecular formula
- C20H20O6
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.12598835
Overview
Bahifolin has been reported in Picradeniopsis oppositifolia with data available.
Names & identifiers
- Preferred name
- 9-Methyl-3-methylidene-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydro-2h-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl furan-3-carboxylate
- IUPAC
- (9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl) furan-3-carboxylate
- English name
- 3-Furancarboxylic acid [(3aS,6R)-3,3aα,4,5,6aα,7,9aα,9bβ-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4β-yl] ester
- Molecular formula
- C20H20O6
- Molecular weight
- 356.37
Names & synonyms
35682-60-1BahifolinNSC1459099-methyl-3-methylidene-2-oxo-3,3a,4,5,6a,7,9a,9b-octahydro-2h-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl furan-3-carboxylateSCHEMBL29415617DTXSID30301693NSC-1459093-Furancarboxylic acid [(3aS,6R)-3,3aα,4,5,6aα,7,9aα,9bβ-octahydro-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4β-yl] ester
Database identifiers
- CAS
35682-60-1- PubChem CID
- 286758
- DTXSID
DTXSID30301693
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Boiling point
- 541.108 · 541.108±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.355 · 1.355±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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