1059-86-5

• 常用中文名：7-脱氢胆固醇乙酸酯
• 常用英文名：Cholesta-5,7-dien-3-ol,3-acetate, (3b)
• CAS号：1059-86-5
• 分子式：C₂₉H₄₆O₂
• 分子量：426.67400
• 发布时间：2018-07-08 16:40:41
• 更新时间：2026-08-02 19:33:25

名称

• 中文名: 7-脱氢醋酸胆固醇
• 英文名: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• 中文别名: (3S,9S,10R,13R,14R,17R)-10,13-二甲基-17-((R)-6-甲基庚-2-基)-2,3,4,9,10,11,12,13,14,15,16,17-十二烷基-1H-环戊[A]菲蒽-3-基乙酸酯
• 英文别名: 7-DEHYDROCHOLESTERYL ACETATE; 3β-Acetoxy-5,7-cholestadiene; Cholesta-5,7-dien-3-ol, acetate; 3-O-acetyl-7-dehydrocholesterol; Cholesta-5,7-dien-3beta-yl acetate; 5, 7-CHOLESTADIEN-3β-OL ACETATE; Cholesta-5,7-dien-3-yl acetate; Cholesta-5,7-dien-3-beta-ol, acetate (8ci); 5,7-CHOLESTADIEN-3BETA-OL 3-ACETATE; (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylhtan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate; Cholesta-5,7-dien-3-ol, 3-acetate, (3β); 5,7-CHOLESTADIEN-3-BETA-OL ACETATE; Cholesta-5,7-dien-3beta-ol, acetate; 3β-Acetoxychoesta-5,7-diene; Acetic acid cholesta-5,7-diene-3β-yl ester; Cholest-5,7-dien-3beta-yl acetate; 7-dehydrocholesterol-3-acetate; Cholesta-5,acetate; cholesta-5,7-dien-3-β-yl acetate; 7-dehydrochloresterol acetate; 3beta-Acetoxychoesta-5,7-diene; cholesta-5,7-dien-3-ol,acetate,(3-beta); 7,8-Didehydrocholesteryl-acetat; 7-DEHYDROCHOLESTEROL ACETATE; Cholest-5,7-dien-3beta-yl; EINECS -5; Brn

物化性质

• 密度: 1.01g/cm3
• 沸点: 505.2ºC at 760 mmHg
• 分子式: C₂₉H₄₆O₂
• 分子量: 426.67400
• 闪点: 256.3ºC
• 精确质量: 426.35000
• PSA: 26.30000
• LogP: 7.87960
• 蒸汽压: 2.48E-10mmHg at 25°C
• 折射率: 1.524
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:8.5

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:7

  5.互变异构体数量:无

  6.拓扑分子极性表面积:26.3

  7.重原子数量:31

  8.表面电荷:0

  9.复杂度:746

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:7

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : FZ5680000 CHEMICAL NAME : Cholesta-5,7-dien-3-ol, acetate, (3-beta) CAS REGISTRY NUMBER : 1059-86-5 BEILSTEIN REFERENCE NO. : 3224391 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C29-H46-O2 MOLECULAR WEIGHT : 426.75 WISWESSER LINE NOTATION : L E5 B666 JU LUTJ A1 E1 FY1&3Y1&1 OOV1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 200 mg/kg/90D-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 209,1026,1966

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