Basic information
- Standard SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O- InChIKey
ILZGLZKCNKQDPW-YCIAMDESSA-N- Molecular formula
- C23H32O5
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- 2-((1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((S,E)-3-hydroxyoct-1-enyl)-1H-cyclopenta[b]naphthalen-5-yloxy)acetic acid
- IUPAC
- 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(E,3S)-3-hydroxyoct-1-enyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Names & synonyms
SCHEMBL14715949ILZGLZKCNKQDPW-YCIAMDESSA-N2-((1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((S,E)-3-hydroxyoct-1-enyl)-1H-cyclopenta[b]naphthalen-5-yloxy)acetic acid
Database identifiers
- PubChem CID
- 71268573
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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