Basic information
- CAS
144049-68-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1cc(=O)c2c(O)cc(OC)cc2o1- InChIKey
VCUFPKRXFVNKKD-UHFFFAOYSA-N- Molecular formula
- C43H74O4
- Average molar mass
- 655 g/mol
- Monoisotopic mass
- 654.55871084
Overview
5-hydroxy-7-methoxy-2-tritriacontylchromen-4-one has been reported in Agave americana with data available.
Names & identifiers
- Preferred name
- 5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one
- IUPAC
- 5-hydroxy-7-methoxy-2-tritriacontylchromen-4-one
Names & synonyms
5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one5-hydroxy-7-methoxy-2-tritriacontyl-4H-chromen-4-one144049-68-3RefChem:102837DTXSID6011962325-Hydroxy-7-methoxy-2-tritriacontylchromone5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one, 9CI
Database identifiers
- CAS
144049-68-3- PubChem CID
- 5322151
- DTXSID
DTXSID601196232- Nikkaji
- J2.439.325I
Properties
Computed structural properties
- XLogP
- 18.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 33
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 748
Experimental & physicochemical properties
Melting Point83 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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