基本情報
- CAS
2996-37-4- 標準SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
WGYLYGDCAAABJO-JVRSZONHSA-N- 分子式
- C26H35FO6
- 平均分子量
- 462.5 g/mol
- 単同位体質量
- 462.24176699
名称と識別子
- 優先名称
- 6alpha-Fluoro-16alpha-hydroxy-21-acetylcortexolone 16,17-acetonide
- IUPAC
- [2-[(1R,2S,4R,8S,9S,12S,13R,19S)-19-fluoro-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] acetate
名称と別名
NSC-623522996-37-4T717M6Z1NN6alpha-Fluoro-16alpha-hydroxy-21-acetylcortexolone 16,17-acetonideUNII-T717M6Z1NNDTXSID70952385NSC62352Corticosterone, 11-deoxy-6alpha-fluoro-16alpha,17-dihydroxy-, cyclic 16,17-acetal with acetone, 21-acetatePregn-4-ene-3,20-dione, 21-(acetyloxy)-6-fluoro-16,17-((1-methylethylidene)bis(oxy))-, (6alpha,16alpha)-Pregn-4-ene-3,20-dione, 6alpha-fluoro-16alpha,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, 21-acetatePregn-4-ene-3,20-dione, 6alpha-fluoro-16alpha,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, acetateQ27289752
名称をさらに表示
6.ALPHA.-FLUORO-16.ALPHA.-HYDROXY-21-ACETYLCORTEXOLONE 16,17-ACETONIDE2-(12-Fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate2-[(4aR,4bS,6aS,6bS,9aR,10aS,10bR,12S)-12-Fluoro-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetateCORTICOSTERONE, 11-DEOXY-6.ALPHA.-FLUORO-16.ALPHA.,17-DIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATEPregn-4-ene-3, 21-(acetyloxy)-6-fluoro-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,16.alpha.)-PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-6-FLUORO-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,16.ALPHA.)-PREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATEPREGN-4-ENE-3,20-DIONE, 6.ALPHA.-FLUORO-16.ALPHA.,17,21-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, ACETATE
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 941
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