葫芦素 D
- 中文名称:
- 葫芦素 D
- 中文别名:
- 葫芦素 D;
葫芦素D;
葫芦苦素D
- 英文名称:
- 19-Norlanosta-5,23-diene-3,11,22-trione,2,16,20,25-tetrahydroxy-9-methyl-, (2b,9b,10a,16a,23E)-
- 英文别名:
- cucurbitacin D;
(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione;
Elatericine A;
Cucurbitacin D;
Elatericin A
- CAS No.:
- 3877-86-9
- 分 子 式:
-
C30H44O7
- 分 子 量:
- 516.67
- 精确分子量:
- 516.30900
- PSA:
- 132.13000
- InChI:
- InChI=1/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s13
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
葫芦素 D 物化性质
- 密度:
- 1.24 g/cm3
- 熔点:
- 151-152ºC
- 沸点:
- 684ºC at 760 mmHg
- 闪点:
- 381.4ºC
- 折射率:
- 1.582
- 存储条件/存储方法:
- 库房低温,通风,干燥,与食品原料分开存放
葫芦素 D 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RC6170000
- CHEMICAL NAME :
- 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-tri
one, 9-methyl-2-beta,16-alpha,20,25- tetrahydroxy-
- CAS REGISTRY NUMBER :
- 3877-86-9
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C30-H44-O7
- MOLECULAR WEIGHT :
- 516.74
- WISWESSER LINE NOTATION :
- L E5 B666 CV OV LUTJ B1 E1 FXQ1&V1U1XQ1&1 GQ I1 N1 N1
PQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 8200 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1300 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3400 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Skin and Appendages - dermatitis, other (after systemic exposure)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - other changes
Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For
publisher information, see EJMCA5. Volume(issue)/page/year: 4,459,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1750 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4600 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Skin and Appendages - dermatitis, other (after systemic exposure)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 960 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1000 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory depression
Gastrointestinal - nausea or vomiting
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 900 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory depression
Gastrointestinal - nausea or vomiting
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 130,315,1961
葫芦素 D 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):2.1
2.氢键供体数量:4
3.氢键受体数量:7
4.可旋转化学键数量:4
5.互变异构体数量:8
6.拓扑分子极性表面积:132
7.重原子数量:37
8.表面电荷:0
9.复杂度:1100
10.同位素原子数量:0
11.确定原子立构中心数量:9
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
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