(+)-Frullanolide
Basic information
- CAS
40776-40-7- Standard SMILES
C=C1C(=O)OC2C3=C(C)CCCC3(C)CC[C@H]12- InChIKey
PJPHIAMRKUNVSU-NUYPLMSZSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- (+)-Frullanolide
- IUPAC
- (3aR)-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Names & synonyms
40776-40-7(+)-FrullanolideSCHEMBL14987814DTXSID601367485(+)-Frullanolide and (M-)-Frullanolide
Database identifiers
- CAS
40776-40-7- PubChem CID
- 187809
- DTXSID
DTXSID601367485
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 432
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Related reactions
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Compound notes
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