Basic information
- CAS
7390-95-6- Standard SMILES
Cc1ccc2cc3c(c4c2c1CC4)[C@@H](O)[C@@H](O)c1ccccc1-3- InChIKey
VYBHBOMWVZUGOW-LEWJYISDSA-N- Molecular formula
- C21H18O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.13067981
Names & identifiers
- Preferred name
- cis-3-Methylcholanthrene-11,12-dihydrodiol
- IUPAC
- (11S,12R)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol
Names & synonyms
cis-3-Methylcholanthrene-11,12-dihydrodiol7390-95-6CCRIS 11263-Methylcholanthrene-cis-dihydrodiol11,12-Cholanthrenediol, 11,12-dihydro-3-methyl-, cis-cis-11,12-Dihydroxy-11,12-dihydro-3-methylcholanthreneCholanthrene-11,12-diol, 11,12-dihydro-3-methyl-, (Z)-Benz(j)aceanthrylene-11,12-diol, 1,2,11,12-tetrahydro-3-methyl-, cis-
Database identifiers
- CAS
7390-95-6- PubChem CID
- 134643
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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