AC1NOTCA
2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptane-2,3-diol
Also Known As: Oxy-16|(3beta,22S)-Dihydroxy Cholesterol|(20R,22R)-20,22-Dihydroxycholesterol|2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptane-2,3-diol
CAS: 596-94-1
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.3447 g/mol |
| LogP | 5.4744 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.3447 |
| Monoisotopic Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 667.01935 |
Chemical Identifiers
| CAS Number | 596-94-1 |
|---|---|
| SMILES | CC(C)CCC(C(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O |
Product Overview
AC1NOTCA (CAS 596-94-1), with molecular formula C27H46O3 and molecular weight 418.3447 g/mol. IUPAC: 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptane-2,3-diol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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