trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
(11S,12S)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol
Also Known As: MC 11,12-dihydrodiol (E)|KST-1A0046|trans-3-Methylcholanthrene-11,12-dihydrodiol|3-Methylcholanthrene 11,12-dihydrodiol (E)|trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol|11,12-Dihydro-3-methylcholanthrene-11,12-diol, (E)|11,12-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-methylcholanthrene|(11s,12s)-3-methyl-1,2,11,12-tetrahydrocyclopenta[ij]tetraphene-11,12-diol|Benz(j)aceanthrylene-11,12-diol, 1,2,11,12-tetrahydro-3-methyl-, trans-|(11S,12S)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13068 g/mol |
| LogP | 3.99 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 971.2 |
Chemical Identifiers
| CAS Number | 3343-12-2 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3[C@@H]([C@H](C5=CC=CC=C54)O)O)C=C1 |
Product Overview
trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol (CAS 3343-12-2), with molecular formula C21H18O2 and molecular weight 302.13068 g/mol. IUPAC: (11S,12S)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol.
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