Basic information
- CAS
83291-57-0- Standard SMILES
CC(=O)OC1C2OC2c2cccc3c2C1(O)c1ccccc1-3- InChIKey
ZWZVPIULGRCJIL-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.08920892
Names & identifiers
- Preferred name
- 5a-Hydroxy-3b,4a,5,5a-tetrahydrofluorantheno[2,3-b]oxiren-5-yl acetate
- IUPAC
- (1-hydroxy-4-oxapentacyclo[8.6.1.03,5.06,17.011,16]heptadeca-6,8,10(17),11,13,15-hexaen-2-yl) acetate
Names & synonyms
83291-57-05a-hydroxy-3b,4a,5,5a-tetrahydrofluorantheno[2,3-b]oxiren-5-yl acetateDTXSID001003275Fluorantheno(2,3-b)oxirene-5,5a(3bH)-diol, 4a,5-dihydro-, 5-acetate, (3balpha,4aalpha,5alpha,5abeta)-
Database identifiers
- CAS
83291-57-0- PubChem CID
- 187366
- DTXSID
DTXSID001003275
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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