Basic information
- CAS
69269-55-2- Standard SMILES
CC(=O)O[C@H]1CC[C@@]23C[C@@]2(C=C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)C1- InChIKey
FUGNGPAKVKQMRY-FPYHTYPQSA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.20384475
Names & identifiers
- Preferred name
- [(1S,2S,5S,9S,10R,13S,15S)-5-methyl-6-oxo-15-pentacyclo[11.4.1.01,13.02,10.05,9]octadec-11-enyl] acetate
- IUPAC
- [(1S,2S,5S,9S,10R,13S,15S)-5-methyl-6-oxo-15-pentacyclo[11.4.1.01,13.02,10.05,9]octadec-11-enyl] acetate
Names & synonyms
NSC8277869269-55-2SCHEMBL11505704NSC-82778
Database identifiers
- CAS
69269-55-2- PubChem CID
- 256239
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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