2-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-one
Basic information
- CAS
65716-53-2- Standard SMILES
COc1cc(O)cc2c1C(=O)OC(C)CCCCCCC2- InChIKey
OKWRDLQBKAOJNC-UHFFFAOYSA-N- Molecular formula
- C17H24O4
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.16745924
Overview
2-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-one has been reported in Cyphostemma greveanum, Botryosphaeria, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-one
- IUPAC
- 14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
Names & synonyms
Compound NP-0185452-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-oneorb3171480OKWRDLQBKAOJNC-UHFFFAOYSA-NDTXSID701037019HBA88581AKOS040738374NCGC00385578-0165716-53-2T12927912-Hydroxy-14-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one12-Hydroxy-14-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one #
Database identifiers
- CAS
65716-53-2- PubChem CID
- 602765
- DTXSID
DTXSID701037019
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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