基本情報
- CAS
74635-33-9- 標準SMILES
C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C- InChIKey
HLAWVOWADPNAGN-BAHZUFOISA-N- 分子式
- C29H46O
- 平均分子量
- 410.7 g/mol
- 単同位体質量
- 410.35486609
概要
4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol is a 3beta-sterol that is methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol carrying an additional 4alpha-methyl substituent. It has a role as a mouse metabolite. It is a Delta(14) steroid and a 3beta-sterol. It derives from a hydride of a 5alpha-ergostane.
名称と識別子
- 優先名称
- 4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol
- IUPAC
- (3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
名称と別名
4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-oldelta8,14-sterolDelta 8,14 -Sterol74635-33-9(3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol4a-Methyl-5a-ergosta-8,14,24(28)-trien-3b-oldelta8,14 -Sterolorb3179779SCHEMBL2510793CHEBI:30109DTXSID201233458LMST01031020
名称をさらに表示
4a-Methylergosta-8,14,24(241)-trien-3b-olQ271041124-alpha-methyl-5-alpha-ergosta-8,14,24(28)-trien-3-beta-ol4alpha-methyl-5alpha-ergosta-8,14,24(241)-trien-3beta-ol(3I(2),4I+/-,5I+/-)-4-Methylergosta-8,14,24(28)-trien-3-ol
データベース識別子
- CAS
74635-33-9- PubChem CID
- 443237
- DTXSID
DTXSID201233458- ChEBI
CHEBI:30109- Nikkaji
- J2.774.817A
物性
構造計算による物性
- XLogP
- 7.9
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 5
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 754
実験および物理化学的性質
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Ergosterols and C24-methyl derivatives [ST0103]
Physical DescriptionSolid
化学と産業
薬理情報
Cellular LocationsExtracellular
関連反応
0 件
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