24-Norchola-20,22-diene-4-carboxaldehyde,3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-,cyclic 4,19-hemiacetal, [C(R),1a,3a,4b,5a,7a,12a,13a,14b,15b,17a]-
- 中文别名：苦楝素; 川楝素
- 中文释义：川楝素;苦楝素
- 英文别名：Chuanliansu;
Toosendanin
- CAS No.：58812-37-6
- 分子式：C30H38O11
- 分子量：574.62
- 精确分子量：574.24100
- PSA：165.26000
- InChI：InChI=1/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20?,21+,23-,24-,25?,26+,27+,28+,29+,30
- 分子结构式：
物化性质
- 外观与性状：
- 白色结晶粉末
- 密度：
- 1.44 g/cm3
- 熔点：
- 178-180ºC
- 沸点：
- 714ºC at 760 mmHg
- 闪点：
- 385.6ºC
- 折射率：
- 1.618
- 稳定性相关：
纯品为白色针状晶体，无臭，味苦，易溶于乙醇、乙酸乙酯、丙酮、二氧六环、吡啶等，微溶于热水、氯仿、苯、乙醚等。熔点178～180℃（含一分子结晶水）。
安全信息
- 外观与性状：
- 白色结晶粉末
- 密度：
- 1.44 g/cm3
- 熔点：
- 178-180ºC
- 沸点：
- 714ºC at 760 mmHg
- 闪点：
- 385.6ºC
- 折射率：
- 1.618
- 稳定性相关：
纯品为白色针状晶体，无臭，味苦，易溶于乙醇、乙酸乙酯、丙酮、二氧六环、吡啶等，微溶于热水、氯仿、苯、乙醚等。熔点178～180℃（含一分子结晶水）。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RC1030000
- CAS REGISTRY NUMBER :
- 58812-37-6
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C30-H38-O11
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 98 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 244 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 13800 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14300 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14600 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 4200 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 2500 ug/kg/25D-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- REFERENCE :
- CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：139.13
2、 摩尔体积（cm3/mol）：396.6
3、 等张比容（90.2K）：1134.7
4、 表面张力（dyne/cm）：66.9
5、 极化率（10-24cm3）：55.15
