8-Hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoatato(2-)
Basic information
- CAS
11049-71-1- Standard SMILES
C=C1CC(OC(=O)C(C)(O)CCl)C2C(=C)C(=O)OC2C2C1CC(O)C21CO1- InChIKey
RFRUYYQMUJRBAN-UHFFFAOYSA-N- Molecular formula
- C19H23ClO7
- Average molar mass
- 398.8 g/mol
- Monoisotopic mass
- 398.1132308
Names & identifiers
- Preferred name
- 8-Hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoatato(2-)
- IUPAC
- (8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 3-chloro-2-hydroxy-2-methylpropanoate
Names & synonyms
DTXSID0091170811049-71-18-Hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoatato(2-)8-hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl 3-chloro-2-hydroxy-2-methylpropanoate
Database identifiers
- CAS
11049-71-1- PubChem CID
- 93586
- DTXSID
DTXSID00911708
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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