Basic information
- CAS
62487-25-6- Standard SMILES
C=C1C(=O)OC2C1CCC1(C)CCCC(=C)C21- InChIKey
XUYAKPXYKQEFPD-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Overview
CRITONILIDE has been reported in Frullania tamarisci, Magnolia odora, and other organisms with data available.
Names & identifiers
- Preferred name
- Critonilide
- IUPAC
- 5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
- English name
- (3aR)-3aα,4,5,5a,6,7,8,9,9aβ,9bα-Decahydro-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
CRITONILIDE62487-25-6DTXSID803151645a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo(g)(1)benzofuran-2-oneRefChem:128485DTXCID20266287.beta.-Cyclocostunolide(+)-.beta.-CyclocostunolideSCHEMBL17301653Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-dimethylene-, (3aS,5aR,9aS,9bS)-XUYAKPXYKQEFPD-UHFFFAOYSA-N
Show more names
Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-bis(methylene)-, (3aR,5aR,9aS,9bS)-(3aR)-3aα,4,5,5a,6,7,8,9,9aβ,9bα-Decahydro-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
NSC292653NSC-2926535a-Methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-oneEudesma-4(14),11(13)-dien-12-oic acid, 6.alpha.-hydroxy-, .gamma.-lactoneNaphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-bis(methylene)-, (3aS,5aR,9aS,9bS)-Naphtho[1,2-b]furan-2(3H)-one, decahydro-5a-methyl-3,9-bis(methylene)-, [3aS-(3a.alpha.,5a.beta.,9a.alpha.,9b.beta.)]-
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 409
Physicochemical properties
- Boiling point
- 364.88 · 364.880±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.078 · 1.078±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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