Basic information
- CAS
60622-47-1- Standard SMILES
CC1(C)O[C@@H]2CC(=O)O[C@]2(C)[C@H]1CC(=O)CC1=CCC[C@]23C[C@]12C(=O)O[C@H]3c1ccoc1- InChIKey
AJVSRVWATORRCY-JADLZALPSA-N- Molecular formula
- C25H28O7
- Average molar mass
- 440.5 g/mol
Names & identifiers
- Preferred name
- (1S,6S,9R)-5-[3-[(3aR,6S,6aR)-5,5,6a-trimethyl-2-oxo-3a,6-dihydro-3H-furo[3,2-b]furan-6-yl]-2-oxopropyl]-9-(furan-3-yl)-8-oxatricyclo[4.3.1.01,6]dec-4-en-7-one
- IUPAC
- (1S,6S,9R)-5-[3-[(3aR,6S,6aR)-5,5,6a-trimethyl-2-oxo-3a,6-dihydro-3H-furo[3,2-b]furan-6-yl]-2-oxopropyl]-9-(furan-3-yl)-8-oxatricyclo[4.3.1.01,6]dec-4-en-7-one
- English name
- (3R)-3β-(3-Furyl)-7-[3-[(3S,3aR,6aR)-hexahydro-2,2,3a-trimethyl-5-oxofuro[3,2-b]furan-3-yl]-2-oxopropyl]-4,5-dihydro-3aβ,7aβ-methanoisobenzofuran-1(3H)-one
- Molecular formula
- C25H28O7
- Molecular weight
- 440.49
Names & synonyms
Cneorin F(3R)-3β-(3-Furyl)-7-[3-[(3S,3aR,6aR)-hexahydro-2,2,3a-trimethyl-5-oxofuro[3,2-b]furan-3-yl]-2-oxopropyl]-4,5-dihydro-3aβ,7aβ-methanoisobenzofuran-1(3H)-oneL-xylo-Heptonic acid, 3,6-anhydro-2,5,7-trideoxy-5-[3-[(1R,3aS,7aS)-1-(3-furanyl)-6,7-dihydro-3-oxo-1H,3H-3a,7a-methanoisobenzofuran-4-yl]-2-oxopropyl]-4,6-di-C-methyl-, γ-lactone (9CI)
Database identifiers
- CAS
60622-47-1- Nikkaji
- J18.071H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 937
Physicochemical properties
- Boiling point
- 652.082 · 652.082±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.349 · 1.349±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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