trans-13-Cinnamoyloxylupanine
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Basic information
- CAS
5835-04-1- Standard SMILES
O=C(/C=C/c1ccccc1)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1- InChIKey
PUFYZCKVLOYPHL-MFYPYBFPSA-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] (E)-3-phenylprop-2-enoate has been reported in Lupinus lanatus and Rothia hirsuta with data available.
Names & identifiers
- Preferred name
- trans-13-Cinnamoyloxylupanine
- IUPAC
- [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate
- English name
- 13α-Cinnamoyloxylupanine
- Molecular formula
- C24H30N2O3
- Molecular weight
- 394.51
Names & synonyms
5835-04-1trans-13-Cinnamoyloxylupanine13alpha-Cinnamoyloxylupanine[(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoateEINECS 227-420-9SCHEMBL30834783FC65854(2S-(2alpha(E),7beta,7Abeta,14beta,14aalpha))-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-yl cinnamateTrans-13-Cinnamoyloxylupanine; Hydroxylupanine Trans-cinnamate; 2-Propenoic acid, 3-phenyl-, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-2-yl ester, (2E)-; 2-Propenoic acid, 3-phenyl-, dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,13α-Cinnamoyloxylupanine(7S,7aβ,14S,14aα)-9β-(Cinnamoyloxy)dodecahydro-7,14-methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-4-one(E)-3-Phenylpropenoic acid (2S,7aα,14aβ)-dodecahydro-11-oxo-7α,14α-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-2β-yl ester
Show more names
2-Propenoic acid, 3-phenyl-, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-2-yl ester, (2E)-
Properties
Computed structural propertiesFilling in
- 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
Chemistry & industry
Applications
UsesTrans-13-Cinnamoyloxylupanine can be useful in the development and application of virus-induced gene silencing protocol for study of gene function in narrow-leafed lupin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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