1-[(1R,2S,4R,6S,7S,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl]ethanone
Basic information
- CAS
1044-90-2- Standard SMILES
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
MSGQPOBWYUXEOQ-JEKXPXOESA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- 1-[(1R,2S,4R,6S,7S,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl]ethanone
- IUPAC
- 1-[(1R,2S,4R,6S,7S,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-6-yl]ethanone
Names & synonyms
NSC21458NSC-21458
Database identifiers
- CAS
1044-90-2- PubChem CID
- 228499
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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