13-Cinnamoyloxylupanine
Basic information
- CAS
86707-49-5- Standard SMILES
O=C(C=Cc1ccccc1)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1- InChIKey
PUFYZCKVLOYPHL-KGWSWXIGSA-N- Molecular formula
- C24H30N2O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.22564282
Overview
[(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3-phenylprop-2-enoate has been reported in Lupinus lanatus with data available.
Names & identifiers
- Preferred name
- 13-Cinnamoyloxylupanine
- IUPAC
- [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3-phenylprop-2-enoate
Names & synonyms
trans-13-Cinnamoyloxylupanine13-CinnamoyloxylupanineDTXSID50136753786707-49-5
Database identifiers
- CAS
86707-49-5- PubChem CID
- 111100
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
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Compound notes
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