Deacylcortivazol
1-[(1S,2R,13S,14S,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-hydroxyethanone
Also Known As: Deacylcortivazol|1-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-hydroxyethan-1-one|1-[(1R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethan-1-one|2'H-Pregna-2,6-trieno[3,2-c]pyrazol-20-one, 11,17,21-trihydroxy-6,16-dimethyl-2'-phenyl-, (11.beta.,16.alpha.)-|Dac
| Molecular Formula | C30H36N2O4 |
|---|---|
| Molecular Weight | 488.26752 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.26752 |
| Monoisotopic Mass | 488.26752 |
| Heavy Atoms | 36 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 4906-84-7 |
|---|---|
| SMILES | CC1C[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)CO)O)C)O)C)C=NN5C6=CC=CC=C6)C |
| InChIKey | FKAINCOIINXAOK-ZRLAKYCRSA-N |
Product Overview
Deacylcortivazol (CAS 4906-84-7), with molecular formula C30H36N2O4 and molecular weight 488.26752 g/mol. IUPAC: 1-[(1S,2R,13S,14S,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-hydroxyethanone.
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