Basic information
- CAS
14456-24-7- Standard SMILES
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(O5)[C@H]3CC[C@]12C- InChIKey
HFZYAUIFNQYJOB-NSFMUAGPSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- [(1S,2S,5S,6S,9S,10S,13S,15S)-15-hydroxy-5-methyl-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadecan-6-yl] propanoate
- IUPAC
- [(1S,2S,5S,6S,9S,10S,13S,15S)-15-hydroxy-5-methyl-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadecan-6-yl] propanoate
Names & synonyms
NSC8139314456-24-7NSC-81393
Database identifiers
- CAS
14456-24-7- PubChem CID
- 255692
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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