AC1L5T0X
1-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone
Also Known As: 1,4-Dihydrobenzoesaeure-ethylester|KST-1B3410|1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-7-(4-fluorophenyl)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone|1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-7-(4-fluorophenyl)-1,1|1-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone
| Molecular Formula | C30H35FN2O3 |
|---|---|
| Molecular Weight | 490.26318 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 490.26318 |
| Monoisotopic Mass | 490.26318 |
| Heavy Atoms | 36 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 34761-63-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C |
| InChIKey | REDLYOWJSWINBB-DUIWYZBESA-N |
Product Overview
AC1L5T0X (CAS 34761-63-2), with molecular formula C30H35FN2O3 and molecular weight 490.26318 g/mol. IUPAC: 1-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]ethanone.
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