心菊内酯
- 中文名称:
- 心菊内酯
- 中文别名:
- 心菊内酯
- 英文名称:
- Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-,(3aS,4S,4aR,7aR,8R,9aR)-
- 英文别名:
- helenalin;
dl-Mexicanin I;
Helenalin A;
HELENALIN;
PF 56;
(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
- CAS No.:
- 6754-13-8
- 分 子 式:
-
C15H18O4
- 分 子 量:
- 262.33
- 精确分子量:
- 262.12100
- PSA:
- 63.60000
- InChI:
- The Key: ZVLOPMNVFLSSAA-SHVHVPNISA-N3
- 安全术语:
- Poison by ingestion and intraperitoneal routes. Mutation data reported. Human Toxicity (Merck): Intensely poisonous, capable of causing paralysis of voluntary and cardiac musculature and fatal gastroenteritis. When heated to decomposition it emits toxic fumes.
- 分子结构式:
-
- SDS:
- 查看
心菊内酯 物化性质
- 密度:
- 1.25g/cm3
- 熔点:
- 167-168ºC
- 沸点:
- 473ºC at 760 mmHg
- 闪点:
- 179.9ºC
- 折射率:
- 1.565
心菊内酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- BD9630000
- CHEMICAL NAME :
- Ambrosa-2,11(13)-dien-12-oic acid,
6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone
- CAS REGISTRY NUMBER :
- 6754-13-8
- BEILSTEIN REFERENCE NO. :
- 0028081
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C15-H18-O4
- MOLECULAR WEIGHT :
- 262.33
- WISWESSER LINE NOTATION :
- T C575 DYVO MV KUTJ A1 BQ DU1 I1
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 :
- 125 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - food intake (animal)
Gastrointestinal - peritonitis
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 85 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 45 mg/kg/3D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Endocrine - changes in spleen weight
Endocrine - changes in thymus weight
- TYPE OF TEST :
- DNA inhibition
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 780 ppb
- REFERENCE :
- BSECBU Biochemical Systematics and Ecology. (Pergamon Press Inc., Maxwell
House, Fairview Park, Elmsford, NY 10523) V.2- 1974-
Volume(issue)/page/year: 13,365,1985
心菊内酯 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):1.4
2.氢键供体数量:1
3.氢键受体数量:4
4.可旋转化学键数量:0
5.互变异构体数量:3
6.拓扑分子极性表面积:63.6
7.重原子数量:19
8.表面电荷:0
9.复杂度:506
10.同位素原子数量:0
11.确定原子立构中心数量:6
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:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
推荐供应商
上海吉至生化科技有限公司
心菊内酯
- 联系人:江珊
- 电 话:021-57520831
- 手 机:15316869680
- Cas号:6754-13-8
- 包装:500μgea,1mgea
- 纯度:98%
- 价格:3,593.0元 - 5,393.0元
武汉天植生物技术有限公司
锦鸡菊素
- 联系人:欧阳
- 电 话:13545281503
- 手 机:18607104898
- Cas号:6754-13-8
- 包装:1
- 纯度:>=98%
- 价格:1.0元
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心菊内酯
- 联系人:邵经理
- 电 话:16621771607
- 手 机:16621771607
- Cas号:6754-13-8
- 包装:100kg,200kg,300kg,400kg,500kg
- 纯度:
- 价格:64.0元 - 100.0元