AC1L7N4A
[16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|20-(5-Methyl-3,4,5,6-tetrahydropyridin-2-yl)pregnane-3,16-diyl diacetate
| Molecular Formula | C31H49NO4 |
|---|---|
| Molecular Weight | 499.36615 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.36615 |
| Monoisotopic Mass | 499.36615 |
| Heavy Atoms | 36 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 79434-71-2 |
|---|---|
| SMILES | CC1CCC(=NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC(=O)C)C)C)OC(=O)C |
| InChIKey | AVFPEFZPKZCVMP-UHFFFAOYSA-N |
Product Overview
AC1L7N4A (CAS 79434-71-2), with molecular formula C31H49NO4 and molecular weight 499.36615 g/mol. IUPAC: [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
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