(17beta)-3,3-[Ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile
基本情報
- CAS
33261-95-9- 標準SMILES
CC12CCC3(CC1=CCC1C2CCC2(C)C1CCC2(O)C#N)OCCO3- InChIKey
VRSHJJXUDZAQKD-UHFFFAOYSA-N- 分子式
- C22H31NO3
- 平均分子量
- 357.5 g/mol
- 単同位体質量
- 357.23039385
概要
See other relationships...
名称と識別子
- 優先名称
- (17beta)-3,3-[Ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile
- IUPAC
- 17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
名称と別名
83196-58-117'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile33261-95-9(17beta)-3,3-[ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrileMFCD20734735STL146312AKOS005722243VS-11866ZINC000070669781ZINC000253527962NS00089576CC12CCC3(CC1=CCC4C2CCC5(C4CCC5(C#N)O)C)OCCO3
名称をさらに表示
(10R13S17S)17hydroxy1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolane)17carbonitrile1-hydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolane]-1-carbonitrile17'-hydroxy-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile17hydroxy1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolane)17carbonitrile17hydroxy1013dimethylspiro(13dioxolane23247891112141516decahydro1Hcyclopenta(a)phenanthrene)17carbonitrile
データベース識別子
- CAS
33261-95-9- PubChem CID
- 3782755
- EC Number
- 251-433-9
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 62.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 701
関連反応
0 件
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