AC1N3CJE
4-(3,12-dihydroxy-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-17-yl)pentanoic acid
Also Known As: 7,7-Azo-3-a,12-a-dihydroxycholanic Acid|7,7-Azo-3- ,12- -dihydroxycholanic Acid|4-(3,12-dihydroxy-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-17-yl)pentanoic acid
| Molecular Formula | C24H38N2O4 |
|---|---|
| Molecular Weight | 418.28317 g/mol |
| LogP | 4.2499 |
| Topological Polar Surface Area | 102.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.28317 |
| Monoisotopic Mass | 418.28317 |
| Heavy Atoms | 30 |
| Complexity | 749.488 |
Chemical Identifiers
| CAS Number | 86992-52-1 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C4(CC5C3(CCC(C5)O)C)N=N4)O)C |
Product Overview
AC1N3CJE (CAS 86992-52-1), with molecular formula C24H38N2O4 and molecular weight 418.28317 g/mol. IUPAC: 4-(3,12-dihydroxy-10,13-dimethylspiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-17-yl)pentanoic acid.
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