Basic information
- Standard SMILES
CC1=C/C(=C\CCCN2CCC[C@H]2[C@H]2C=C(C)C(=O)O2)OC1=O- InChIKey
HSICZNIIIPFAAO-ILYXUJSMSA-N- Molecular formula
- C18H23NO4
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16270822
Overview
6E-Pandamarilactonine D has been reported in Pandanus amaryllifolius with data available.
Names & identifiers
- Preferred name
- (5E)-3-methyl-5-[4-[(2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
- IUPAC
- (5E)-3-methyl-5-[4-[(2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
Database identifiers
- Nikkaji
- J1.785.602B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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