Basic information
- CAS
98299-78-6- Standard SMILES
C/C(=C\COc1c(O)ccc2ccc(=O)oc12)CCCC(C)C- InChIKey
ATKUFZHTQAERBN-SDNWHVSQSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16745924
Overview
ferujol has been reported in Ferula jaeschkeana with data available.
Names & identifiers
- Preferred name
- Ferujol
- IUPAC
- 8-[(E)-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-one
Names & synonyms
FerujolSGK3OX19I88-[(E)-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-oneDTXSID708976012H-1-Benzopyran-2-one, 8-((3,7-dimethyl-2-octenyl)oxy)-7-hydroxy-8-((E)-3,7-dimethyloct-2-enoxy)-7-hydroxychromen-2-oneRefChem:140340DTXCID10132693398299-78-6UNII-SGK3OX19I88-((3,7-Dimethyl-2-octenyl)oxy)-7-hydroxycoumarinSCHEMBL3362802
Show more names
SCHEMBL29929078COUMARIN, 8-((3,7-DIMETHYL-2-OCTENYL)OXY)-7-HYDROXY-Q54455998-((3,7-Dimethyloct-2-en-1-yl)oxy)-7-hydroxy-2H-chromen-2-one8-(((2E)-3,7-DIMETHYLOCT-2-EN-1-YL)OXY)-7-HYDROXY-2H-CHROMEN-2-ONE8-{[(2E)-3,7-Dimethyloct-2-en-1-yl]oxy}-7-hydroxy-2H-1-benzopyran-2-one
Database identifiers
- CAS
98299-78-6- PubChem CID
- 6435569
- DTXSID
DTXSID70897601- UNII
- SGK3OX19I8
- Nikkaji
- J1.959.001A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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