Basic information
- CAS
14026-85-8- Standard SMILES
C=C1C(=O)OC2C1C1CC1(C)C1CC(OC(C)=O)C(C)C21O- InChIKey
UIDYHYYEAGPNQR-UHFFFAOYSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1467238
Overview
Axivalin has been reported in Iva axillaris with data available.
Names & identifiers
- Preferred name
- Axivalin
- IUPAC
- (10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo[8.3.0.02,4.05,9]tridecan-12-yl) acetate
Names & synonyms
Axivalin14026-85-8(10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo[8.3.0.02,4.05,9]tridecan-12-yl) acetate(10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo(8.3.0.02,4.05,9)tridecan-12-yl) acetateRefChem:1158597a-hydroxy-4a,7-dimethyl-3-methylidene-2-oxododecahydrocyclopropa[6,7]indeno[4,5-b]furan-6-yl acetateDTXSID70301692NSC145906NSC-1459066-Acetyloxy-3a,3b,4,4a,4b,5,6,7,7a,7b-decahydro-7a-hydroxy-4a,7-dimethyl-3-methylenecycloprop[6,7]in
Database identifiers
- CAS
14026-85-8- PubChem CID
- 286757
- DTXSID
DTXSID70301692- ChEMBL
CHEMBL485058- Nikkaji
- J15.443A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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