6,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-(3-methylbutyl)-3-(1-oxopropoxy)-, (5-alpha,7-alpha(R))-
Basic information
- CAS
61521-77-5- Standard SMILES
CCC(=O)Oc1ccc2c3c1O[C@H]1[C@]4(OC)C=CC5(C[C@@H]4[C@](C)(O)CCC(C)C)[C@@H](C2)N(C)CC[C@]315- InChIKey
FUCLCZBCQNXUFY-MKORTDMESA-N- Molecular formula
- C30H41NO5
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.29847341
Names & identifiers
- Preferred name
- 6,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-(3-methylbutyl)-3-(1-oxopropoxy)-, (5-alpha,7-alpha(R))-
- IUPAC
- [(2S,6R,14R,15S,19R)-19-[(2R)-2-hydroxy-5-methylhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-yl] propanoate
Names & synonyms
61521-77-56,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-(3-methylbutyl)-3-(1-oxopropoxy)-, (5-alpha,7-alpha(R))-RefChem:305979DTXSID30977094(4R,7S,7aR,12bS,14R)-14-[(2R)-2-Hydroxy-5-methylhexan-2-yl]-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-yl propanoate14-(2-Hydroxy-5-methylhexan-2-yl)-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-yl propanoate
Database identifiers
- CAS
61521-77-5- PubChem CID
- 3046089
- DTXSID
DTXSID30977094
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 936
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Compound notes
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