Falcalindiol
Basic information
- CAS
30779-95-4- Standard SMILES
C=CC(O)C#CC#CC(O)C=CCCCCCCC- InChIKey
QWCNQXNAFCBLLV-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Overview
falcalindiol has been reported in Angelica biserrata, Heracleum candicans, and other organisms with data available.
Names & identifiers
- Preferred name
- Falcalindiol
- IUPAC
- heptadeca-1,9-dien-4,6-diyne-3,8-diol
Names & synonyms
heptadeca-1,9-dien-4,6-diyne-3,8-diolPanaxynol; CarotatoxinFalcalindiolHeptadeca-1,9-diene-4,6-diyne-3,8-diolorb1940990SCHEMBL16680213DTXSID401352169CID 33211,9-heptadecadien-4,6-diyn-3,8-diolDB-071975
Database identifiers
- CAS
30779-95-4- PubChem CID
- 3321
- DTXSID
DTXSID401352169
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
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Related reactions
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Compound notes
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