Basic information
- CAS
74351-41-0- Standard SMILES
Cc1c2c(c(C)c3c1ccc1ccccc13)C(O)C(O)C1OC21- InChIKey
QUOXBIJJZBAQGO-UHFFFAOYSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 1a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diol
- IUPAC
- 2,10-dimethyl-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Names & synonyms
74351-41-01a,2,3,11b-Tetrahydro-4,11-dimethylbenz(5,6)anthra(1,2-b)oxirene-2,3-diolDTXSID60995887Benz(5,6)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-4,11-dimethyl-4,11-dimethyl-1a,2,3,11b-tetrahydrotetrapheno[8,9-b]oxirene-2,3-diol
Database identifiers
- CAS
74351-41-0- PubChem CID
- 150796
- DTXSID
DTXSID60995887
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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