Basic information
- CAS
79802-82-7- Standard SMILES
CC(=O)OCC12C3=CC(=O)OC1CC1(O)C(C)=CC(=O)C(OC(C)=O)C1(C)C2C(=O)C(OC(C)=O)C3C- InChIKey
BDIVMRHJDSWSND-UHFFFAOYSA-N- Molecular formula
- C26H30O11
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 518.17881177
Names & identifiers
- Preferred name
- Chaparrinone triacetate,15-dehydro
- IUPAC
- (3,15-diacetyloxy-7-hydroxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-dien-17-yl)methyl acetate
Names & synonyms
NSC32463079802-82-7CHAPARRINONE TRIACETATE,15-DEHYDRODTXSID90330868NSC-3246305-Hydroxy-.DELTA.14,15-chaparrinone triacetate5-Hydroxy-2,11,16-trioxopicrasa-3,14-diene-1,12,20-triyl triacetate
Database identifiers
- CAS
79802-82-7- PubChem CID
- 433178
- DTXSID
DTXSID90330868
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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