[(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate
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Basic information
- CAS
34553-66-7- Standard SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C- InChIKey
MVSNUOQYIMBCLK-XLWMTSDTSA-N- Molecular formula
- C23H34O5
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.24062418
Names & identifiers
- Preferred name
- [(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate
- IUPAC
- [(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate
Names & synonyms
MLS002608067NSC3798034553-66-7NSC-37980
Database identifiers
- CAS
34553-66-7- PubChem CID
- 235986
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 735
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Compound notes
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