Basic information
- CAS
85749-68-4- Standard SMILES
COc1cccc2c1[C@@]1(C)C3C(=O)OC(C)(c4ccccc43)[C@@]1(C)C2=O- InChIKey
WTZWJUSJIVPVAD-WJAUWWTJSA-N- Molecular formula
- C22H20O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13615911
Names & identifiers
- Preferred name
- (2R,10S)-4-methoxy-2,10,11-trimethyl-19-oxapentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-3(8),4,6,12,14,16-hexaene-9,18-dione
- IUPAC
- (2R,10S)-4-methoxy-2,10,11-trimethyl-19-oxapentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-3(8),4,6,12,14,16-hexaene-9,18-dione
Names & synonyms
NSC37753085749-68-4DTXSID50321550NSC-377530(4bR,10aS)-4-Methoxy-4b,10,10a-trimethyl-4b,5,10,10a-tetrahydro-11H-10,5-(epoxymethano)benzo[b]fluorene-11,13-dione
Database identifiers
- CAS
85749-68-4- PubChem CID
- 342137
- DTXSID
DTXSID50321550
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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