Basic information
- CAS
97571-51-2- Standard SMILES
C=C1CC[C@@H]2CCCC[C@H]2[C@@]1(C)CC(=O)OCC- InChIKey
BJPCXRRQWCYTEZ-LZWOXQAQSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Names & identifiers
- Preferred name
- cis-(-)-Stobadin dihydrochloride
- IUPAC
- ethyl 2-[(1R,4aS,8aR)-1-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]acetate
Names & synonyms
97571-51-2cis-(-)-Stobadin dihydrochloridecis-(-)-Stobadin HClDTXSID00243051Ethyl [(1R,4aS,8aR)-1-methyl-2-methylidenedecahydronaphthalen-1-yl]acetate1-Naphthaleneacetic acid, decahydro-1-methyl-2-methylene-, ethyl ester, (1alpha,4a-alpha,8 alpha beta)
Database identifiers
- CAS
97571-51-2- PubChem CID
- 175708
- DTXSID
DTXSID00243051
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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