Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, hexanoate (ester)
Basic information
- CAS
1253-20-9- Standard SMILES
CCCCCC(=O)O[C@@]12C=CC(=O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5- InChIKey
QYZRCIMMWYGCTH-IBURTVSXSA-N- Molecular formula
- C24H29NO5
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.20457303
Names & identifiers
- Preferred name
- Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, hexanoate (ester)
- IUPAC
- [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] hexanoate
Names & synonyms
Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, hexanoate (ester)1253-20-9RefChem:1089909Codeinone, 14-hydroxy-, hexanoateMorphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-((1-oxohexyl)oxy)-, (5-alpha)-DTXSID709250743-Methoxy-17-methyl-6-oxo-5alpha-7,8-didehydro-4,5-epoxymorphinan-14-yl hexanoate3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl hexanoate
Database identifiers
- CAS
1253-20-9- PubChem CID
- 5486652
- DTXSID
DTXSID70925074
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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