2464-18-8
中文名稱
別膽酸
英文名稱
ALLOCHOLIC ACID
CAS
2464-18-8
分子式
C24H40O5
分子量
408.57
MOL 文件
2464-18-8.mol
更新日期
2026/07/24 17:08:29
2464-18-8 結(jié)構(gòu)式
基本信息
中文別名
別膽酸 英文別名
ALLOCHOLIC ACID(5α)-Cholic acid
3-A,7-A,12-A-TRIHYDROXY-5-A-CHOLANOIC ACID
3-α,7-α,12-α-Trihydroxy-5-α-cholanoic Acid
(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid
(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
(4R)-4-[(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
所屬類別
有機原料：羧酸類化合物及衍生物物理化學性質(zhì)
熔點250-251
沸點583.9±50.0 °C(Predicted)
密度1.184±0.06 g/cm3(Predicted)
儲存條件-20°C冷凍
溶解度可溶于DMSO（輕微）、乙醇（輕微、超聲處理）、甲醇（輕微、加熱）
酸度系數(shù)(pKa)4.76±0.10(Predicted)
形態(tài)固體
顏色白色至灰白色
InChIKeyBHQCQFFYRZLCQQ-PGHAKIONSA-N
SMILESO[C@H]1[C@@H]2[C@@H]([C@@]4([C@@H](C1)C[C@@H](CC4)O)C)C[C@@H]([C@]3([C@H]2CC[C@@H]3[C@@H](CCC(=O)O)C)C)O