9-O-ethyl lycorenine
Basic information
- CAS
75917-42-9- Standard SMILES
CCO[C@H]1O[C@@H]2CC=C3CCN(C)[C@H]3[C@@H]2c2cc(OC)c(OC)cc21.Cl- InChIKey
JQXCWYYVEHLNPK-MQXQPWMHSA-N- Molecular formula
- C20H28ClNO4
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1706861
Names & identifiers
- Preferred name
- 9-O-ethyl lycorenine
- IUPAC
- (5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole;hydrochloride
- English name
- 9-O-ethyl lycorenine
- Molecular formula
- C20H28ClNO4
- Molecular weight
- 381.89362
Names & synonyms
9-O-Ethyl lycorenine75917-42-9Lycorenan, 7-ethoxy-9,10-dimethoxy-1-methyl-, hydrochloride, (7alpha)-RefChem:1080499-O-Ethyl lycorenine hydrochloride9,10-Dimethoxy-7-ethoxy-1-methyl-1,2,3,5a,7,11b,11c-octahydro(2)benzopyrano(3,4-g)indole HClDTXSID90997293(2)Benzopyrano(3,4-g)indole, 1,2,3,5a,7,11b,11c-octahydro-9,10-dimethoxy-7-ethoxy-1-methyl-, hydrochloride(5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole;hydrochloride7-Ethoxy-9,10-dimethoxy-1-methyllycorenan--hydrogen chloride (1/1)7alpha-Ethoxy-9,10-dimethoxy-1-methyllycorenan--hydrogen chloride (1/1)
Database identifiers
- CAS
75917-42-9- PubChem CID
- 197212
- DTXSID
DTXSID90997293
Properties
Computed structural properties
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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