AC1NEE3I
6-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 6-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS: 31300-86-4
| Molecular Formula | C27H42O8 |
|---|---|
| Molecular Weight | 494.28796 g/mol |
| LogP | 2.5117 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.28796 |
| Monoisotopic Mass | 494.28796 |
| Heavy Atoms | 35 |
| Complexity | 847.0379 |
Chemical Identifiers
| CAS Number | 31300-86-4 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C |
Product Overview
AC1NEE3I (CAS 31300-86-4), with molecular formula C27H42O8 and molecular weight 494.28796 g/mol. IUPAC: 6-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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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