Anhydroivaxillarin
Basic information
- CAS
14026-87-0- Standard SMILES
C=C1C(=O)OC2C3=C(C)C(=O)CC3C3(C)CC3C12- InChIKey
KTTIHIGGDOOVBX-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Overview
Anhydroivaxillarin has been reported in Iva axillaris with data available.
Names & identifiers
- Preferred name
- Anhydroivaxillarin
- IUPAC
- 2,11-dimethyl-6-methylidene-8-oxatetracyclo[8.3.0.02,4.05,9]tridec-10-ene-7,12-dione
Names & synonyms
Anhydroivaxillarin2,11-dimethyl-6-methylidene-8-oxatetracyclo[8.3.0.02,4.05,9]tridec-10-ene-7,12-dione10518-13-5DTXSID4032966614026-87-02,11-dimethyl-6-methylidene-8-oxatetracyclo(8.3.0.02,4.05,9)tridec-10-ene-7,12-dioneRefChem:112781DTXCID00280764NSC145907NSC-1459073a,4,4a,4b,5,7b-Hexahydro-4a,7-dimethyl-3-methylenecycloprop[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dion4a,7-Dimethyl-3-methylidene-3a,4,4a,4b,5,7b-hexahydrocyclopropa[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dione
Database identifiers
- CAS
14026-87-0- PubChem CID
- 422665
- DTXSID
DTXSID40329666- ChEMBL
CHEMBL485060- Nikkaji
- J15.066E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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