AC1L5CF2
5-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-5-oxopentanoic acid
Also Known As: 5-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,1|5-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-5-oxopentanoic acid|5-{[(11|A)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-5-oxopentanoic acid
| Molecular Formula | C26H36O8 |
|---|---|
| Molecular Weight | 476.24103 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.24103 |
| Monoisotopic Mass | 476.24103 |
| Heavy Atoms | 34 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 33767-08-7 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCCC(=O)O)O)C)O |
| InChIKey | JJBVOGSGZZMWRE-JTUCLMINSA-N |
Product Overview
AC1L5CF2 (CAS 33767-08-7), with molecular formula C26H36O8 and molecular weight 476.24103 g/mol. IUPAC: 5-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-5-oxopentanoic acid.
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