基本情報
- 標準SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WLNARFZDISHUGS-MIXBDBMTSA-N- 分子式
- C31H50O4
- 平均分子量
- 486.7 g/mol
- 単同位体質量
- 486.37091008
概要
Cholesteryl hemisuccinate is a dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology. It has a role as a detergent. It is a cholestane ester, a hemisuccinate and a dicarboxylic acid monoester. It is functionally related to a cholesterol.
名称と識別子
- 優先名称
- Cholesteryl hemisuccinate
- IUPAC
- 4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
名称と別名
名称をさらに表示
データベース識別子
- CAS
1510-21-0- PubChem CID
- 65082
- DTXSID
DTXSID10934145- ChEBI
CHEBI:138742- UNII
- T3J4KS4201
- EC Number
- 216-148-6
- Nikkaji
- J206.716A
物性
構造計算による物性
- XLogP
- 8.5
- 極性表面積
- 63.6 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
- 10
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 815
実験および物理化学的性質
安全と法規制
GHS分類
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
関連反応
関連ノート
読み込み中…