Agn-PC-0jrhvn
Basic information
- CAS
7233-33-2- Standard SMILES
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C4(O)C(=O)OCC13C42- InChIKey
XCAPDGKSNAMUQC-UHFFFAOYSA-N- Molecular formula
- C20H24O7
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.1522031
Names & identifiers
- Preferred name
- Agn-PC-0jrhvn
- IUPAC
- 5,17-dihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.05,19.013,18]nonadec-14-ene-4,9,16-trione
Names & synonyms
AGN-PC-0JRHVNDTXSID404131757233-33-2RefChem:317588DTXCID303640261,13-Dihydroxy-10,13a,14-trimethyl-1,9,9a,13,13a,13b-hexahydro-2H,4H,5H-1,5-methanonaphtho[2,3-b:3,4-c']dipyran-2,7,12(6H,8aH)-trione
Database identifiers
- CAS
7233-33-2- PubChem CID
- 5249286
- DTXSID
DTXSID40413175
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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