trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
Basic information
- CAS
3343-12-2- Standard SMILES
Cc1ccc2cc3c(c4c2c1CC4)[C@H](O)[C@@H](O)c1ccccc1-3- InChIKey
VYBHBOMWVZUGOW-SFTDATJTSA-N- Molecular formula
- C21H18O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.13067981
Names & identifiers
- Preferred name
- trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
- IUPAC
- (11S,12S)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol
Names & synonyms
MC 11,12-dihydrodiol (E)trans-3-Methylcholanthrene-11,12-dihydrodioltrans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol3-Methylcholanthrene 11,12-dihydrodiol (E)11,12-Dihydro-3-methylcholanthrene-11,12-diol, (E)3343-12-211,12-Dihydroxy-11,12-dihydro-3-methylcholanthrene (E)Cholanthrene-11,12-diol, 11,12-dihydro-3-methyl-, (E)-trans-11,12-Dihydro-11,12-dihydroxy-3-methylcholanthreneBenz(j)aceanthrylene-11,12-diol, 1,2,11,12-tetrahydro-3-methyl-, trans-
Database identifiers
- CAS
3343-12-2- PubChem CID
- 115018
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
Loading…