Basic information
- CAS
990-33-0- Standard SMILES
CC(=O)OCC12C3CC4C(C)=CC(=O)C(OC(C)=O)C4(C)C1C(=O)C(OC(C)=O)C(C)C2CC(=O)O3- InChIKey
ZOURDFBRMWJVKJ-UHFFFAOYSA-N- Molecular formula
- C26H32O10
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.19954721
Names & identifiers
- Preferred name
- Chaparrinone triacetate
- IUPAC
- (3,15-diacetyloxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-17-yl)methyl acetate
Names & synonyms
NSC324626990-33-0CHAPARRINONE TRIACETATEDTXSID50330864NSC-3246262,11,16-Trioxopicras-3-ene-1,12,20-triyl triacetate
Database identifiers
- CAS
990-33-0- PubChem CID
- 433174
- DTXSID
DTXSID50330864
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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