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Basic information
- CAS
7506-73-2- Standard SMILES
C=C1C(=O)OC2C1C(OC(C)=O)CC1C(C)(Cl)CCC(O)C21C- InChIKey
HLMOUPDHGDAZFE-UHFFFAOYSA-N- Molecular formula
- C17H23ClO5
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.1234015
Names & identifiers
- Preferred name
- (6-Chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
- IUPAC
- (6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate
Names & synonyms
7506-73-2NSC407030(6-chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,5a,7,8,9,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetateDTXSID00324551NSC-4070306-Chloro-9-hydroxy-6,9a-dimethyl-3-methylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate
Database identifiers
- CAS
7506-73-2- PubChem CID
- 348018
- DTXSID
DTXSID00324551
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
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Compound notes
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