(5,14-Dimethyl-9-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) acetate
Basic information
- CAS
35144-10-6- Standard SMILES
C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C1CC1OC12C- InChIKey
CZIGIXZHIBZWBA-UHFFFAOYSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1467238
Overview
(5,14-Dimethyl-9-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) acetate has been reported in Artemisia cana with data available.
Names & identifiers
- Preferred name
- (5,14-Dimethyl-9-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) acetate
- IUPAC
- (5,14-dimethyl-9-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) acetate
Names & synonyms
35144-10-6DTXSID00956593NSC180025NSC-1800253,8a-Dimethyl-6-methylidene-2-oxododecahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl acetate
Database identifiers
- CAS
35144-10-6- PubChem CID
- 301775
- DTXSID
DTXSID00956593- Nikkaji
- J19.176K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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