Speciformin
Basic information
- CAS
41653-77-4- Standard SMILES
C=C1C(=O)OC2C/C(C)=C/CCC3(C)OC3C(O)C12- InChIKey
ZMFCIMWRPFSUCY-VMPITWQZSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
Spiciformin has been reported in Tanacetum chiliophyllum, Tanacetum aureum, and other organisms with data available.
Names & identifiers
- Preferred name
- Speciformin
- IUPAC
- (8E)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
Names & synonyms
SpeciforminSpiciformin41653-77-4SCHEMBL29799737Oxireno(4,5)cyclodeca(1,2-b)furan-8(1aH)-one, 2,3,6,6a,9,9a,10,10a-octahydro-10-hydroxy-1a,5-dimethyl-9-methylene-, (1aS-(1aR*,4E,6aR*,9aR*,10R*,10aS*))-
Database identifiers
- CAS
41653-77-4- PubChem CID
- 6442633
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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