Basic information
- CAS
41005-35-0- Standard SMILES
CC(=O)OC(C)C1CCC(C2CCC3CC(O)CCC3(C)C2=O)C1(C)C(=O)O- InChIKey
YCENMLSFQOQEHY-UHFFFAOYSA-N- Molecular formula
- C22H34O6
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.2355388
Names & identifiers
- Preferred name
- 2-(1-Acetyloxyethyl)-5-(6-hydroxy-8a-methyl-1-oxo-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)-1-methylcyclopentane-1-carboxylic acid
- IUPAC
- 2-(1-acetyloxyethyl)-5-(6-hydroxy-8a-methyl-1-oxo-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)-1-methylcyclopentane-1-carboxylic acid
Names & synonyms
41005-35-0NSC110338DTXSID10961375NSC-1103382-[1-(Acetyloxy)ethyl]-5-(6-hydroxy-8a-methyl-1-oxodecahydronaphthalen-2-yl)-1-methylcyclopentane-1-carboxylic acid
Database identifiers
- CAS
41005-35-0- PubChem CID
- 269372
- DTXSID
DTXSID10961375
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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