7-脱氢醋酸胆固醇
- 中文名称:
- 7-脱氢醋酸胆固醇
- 中文别名:
- 7-脱氢醋酸胆固醇
- 英文名称:
- Cholesta-5,7-dien-3-ol,3-acetate,(3b)-
- 英文别名:
- [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;
7-dehydrocholesterol-3-acetate;
3-O-acetyl-7-dehydrocholesterol;
Cholesta-5,acetate;
7-dehydrochloresterol acetate;
7,8-Didehydrocholesteryl-acetat
- CAS No.:
- 1059-86-5
- 分 子 式:
-
C29H46O2
- 分 子 量:
- 426.67
- 精确分子量:
- 426.35000
- PSA:
- 26.30000
- EINECS:
- 213-896-5
- InChI:
- The Key: ACGNVBRAISEVDK-KXVAAJAASA-N3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
7-脱氢醋酸胆固醇 物化性质
- 密度:
- 1.01g/cm3
- 沸点:
- 505.2ºC at 760 mmHg
- 闪点:
- 256.3ºC
- 折射率:
- 1.524
- 蒸汽压:
- 2.48E-10mmHg at 25°C
7-脱氢醋酸胆固醇 毒理性
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
7-脱氢醋酸胆固醇 分子结构与计算化学数据
计算化学数据
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