Basic information
- CAS
79752-58-2- Standard SMILES
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C=C3C(C)C(O)C4(O)OCC31C42- InChIKey
WSMBJDADLKPENB-UHFFFAOYSA-N- Molecular formula
- C20H24O7
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.1522031
Names & identifiers
- Preferred name
- 4,5,17-Trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-7,14-diene-9,16-dione
- IUPAC
- 4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-7,14-diene-9,16-dione
Names & synonyms
NSC32462979752-58-2.DELTA.14,15-ChaparrinoneDTXSID30330867NSC-3246291,11,12-Trihydroxy-11,20-epoxypicrasa-3,14-diene-2,16-dione
Database identifiers
- CAS
79752-58-2- PubChem CID
- 433177
- DTXSID
DTXSID30330867
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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