Basic information
- CAS
79752-57-1- Standard SMILES
CC1=CC(=O)C(O)C2(C)C3C4(O)OCC35C(=CC(=O)OC5CC12O)C(C)C4O- InChIKey
SMBOOGQNSAWYCA-UHFFFAOYSA-N- Molecular formula
- C20H24O8
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.14711772
Names & identifiers
- Preferred name
- 4,5,13,17-Tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-7,14-diene-9,16-dione
- IUPAC
- 4,5,13,17-tetrahydroxy-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
NSC32462879752-57-1DTXSID70330866NSC-3246285-Hydroxy-.DELTA.14,15-chaparrinone1,5,11,12-Tetrahydroxy-11,20-epoxypicrasa-3,14-diene-2,16-dione
Database identifiers
- CAS
79752-57-1- PubChem CID
- 433176
- DTXSID
DTXSID70330866
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 877
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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