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1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione | 1217775-72-8

中文名称
——
中文别名
——
英文名称
1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
英文别名
——
1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione化学式
CAS
1217775-72-8
化学式
C30H34O13
mdl
——
分子量
602.6
InChiKey
VJKUPQSHOVKBCO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -0.93
  • 重原子数:
    43
  • 可旋转键数:
    2
  • 环数:
    10.0
  • sp3杂化的碳原子比例:
    0.8
  • 拓扑面积:
    191
  • 氢给体数:
    3
  • 氢受体数:
    13

ADMET

毒理性
  • 人类毒性摘录
一起罕见的涉及眼睛的中毒病例发生在一个年轻女性身上,她食用了被毒扁豆碱毒杀的鱼。她出现了头痛、寒战、流涎和视力丧失,瞳孔扩大且无反应。观察到两个视网膜都有水肿。...患者康复了...
An unusual case of poisoning with eye involvement occurred in a young woman who ate fish that had been killed by picrotoxin. She developed headache, chills, salivation, and loss of vision, with the pupils dilated and unreactive. Both retinas were observed to be edematous. ... The patient recovered ...
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
没有出现明显的苦毒素效果,直到给予惊厥剂量。所产生的惊厥是阵挛性的,不协调的,其模式类似于戊四唑产生的……使用大剂量的苦毒素可能会导致出现强直-阵挛性发作,其中强直屈曲先于强直伸展。伴随惊厥运动的是流涎、由于血管运动刺激导致的血压升高,以及经常性的呕吐。
No appreciable effect of picrotoxin is seen until convulsive doses are given. The resultant convulsion is clonic and incoordinated, and the pattern resembles that produced by pentylenetetrazol ... With large doses of picrotoxin a tonic-clonic seizure may occur in which tonic flexion precedes tonic extension. Accompanying the convulsive movements are salivation, elevation of blood pressure due to vasomotor stimulation, and frequently emesis.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
Picrotoxin是一种剧毒物质,20毫克的剂量就可能导致严重中毒。人类的致死剂量尚不清楚。
Picrotoxin is a highly toxic substance, and a dose of 20 mg may produce symptoms of severe poisoning. The fatal dose for man is unknown.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
在猫和兔子的实验中,根据毒扁豆碱的剂量,显示了视神经神经元和视觉诱发皮层反应的电气活动既有减少也有增强。对青蛙视网膜活动的抑制作用已被证实。
Experiments in cats and rabbits have shown both reduction and enhancement of electrical activity of optic nerve neurons and visual evoked cortical responses, depending on the dosage of picrotoxin. Inhibitory effect on frog retina activity has been shown.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
<Picrotoxin对鱼类的毒性极强。>
/Picrotoxin is/ highly toxic to fish.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
尽管毒扁豆碱可以通过所有途径被吸收,但即使是通过静脉给药,其对中枢神经系统的影响也需要几分钟才能完全显现出来。其作用持续时间相对较短。
Although picrotoxin is absorbed by all routes, the full effect on the central nervous system is not seen for several minutes, even when the drug is admin intravenously. Its duration action is relatively brief.
来源:Hazardous Substances Data Bank (HSDB)

表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
raman
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

马桑宁内酯 苦毒浆果[木防已属] 苦亭 艾瑞布林中间体 艾瑞布林 甲磺酸艾日布林 木防己苦毒宁 全内酯 二氢苦毒宁 6-甲基-4-氧代-4H-呋喃并[3,2-c]吡喃-3-甲酰氯 6-(4-羟基苯基)-2,3,3-三甲基-2H-呋喃并[5,4-b]吡喃-4-酮 4H-呋喃并[2,3-c]吡喃基莫匹罗星钠 3-甲基2H-呋喃并[2,3-c]吡喃-2-酮 3,5-二甲基2H-呋喃并[2,3-c]吡喃-2-酮 2H-呋喃并[2,3-c]吡喃-2-酮 2-[(1E,3E)-己-1,3-二烯基]-2,6-二甲基-5,6-二氢呋喃并[5,4-b]吡喃-3,4-二酮 (3aS,5S,6R,9E,14R,15R,15aR)-2,3,3a,4,5,6,7,8,11,12,13,14,15,15alpha-十四氢-6,10,14-三甲基-3-亚甲基-2-氧代-5,15-环氧环十四烷并[b]呋喃-6-醇乙酸酯 (3aR,4S,7aR)-4-羟基-3,3a,4,7a-四氢呋喃并[5,4-b]吡喃-2-酮 5-hydroxymethyl-3-methyl-2H-furo[2,3-c]pyran-2-one 5-fluoromethyl-2H-furo[2,3-c]pyran-2-one 5-chloromethyl-2H-furo[2,3-c]pyran-2-one 10,11-Anhydro-5-deoxy-1,2-O-isopropylidene-9-O-(methoxymethyl)-β-L-xylo-L-ido-7-undeculofuranose-(1,4)-pyranose-(7,3) 3,7-dimethyl-2H-furo[2,3-c]pyran-2-one 4R-(3αβ,3aβ,4β,5α,6β,7aβ)hexahydro-2,2-dimethyl-4,5-bis(phenylmethoxy)-6-[(phenylmethoxy)methyl]4H-furo[2,3-b]pyran-3-ol 10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]furo[3,2-e]tetrazolo[1,5-c]pyrimidine (R)-3-((2R,3R,5aR,7R,9aS)-3-hydroxyhexahydro-2H-2,5a-methanopyrano[3,2-e][1,4]dioxepin-7-yl)-2-methylpropanenitrile 13-methyl-8,10,12-trioxapentacyclo[5.5.2.02,6.O3,11.05,9]-13-tetradecene 2,3,4,4a,7,8-Hexahydro-6H-2-(acetoxymethyl)-3,4-diacetoxy-1,9-dioxacyclohexainden-5-one 2,3,4,4a,7,8-Hexahydro-6H-2-methoxy-1,9-dioxacyclohexainden-5-one (-)-3a-methyl-3a,4-dihydro-1H,3H-furo[3,4-c]pyran-6,6,7-tricarboxylic acid 6,6-diethyl ester 7-methyl ester (+)-8-epi-altholactone 4-(perfluorophenyl)-3-phenylhexahydro-1H-furo[3,4-c]pyran [(2R,11S,12R,14R,15R,17R,19S)-19-tert-butyldiphenylsiloxymethyl-15-methyl-13,18-dioxadispiro(2H-3,6-dihydropyran-6,5'-oxolane-2',3''-bicyclo[4.3.0]nonane)-2-yl]phenylmethoxymethane (3aS,5S,9bS)-5-methyl-3,3a-dihydro-5H-furo[3,2-c]isochromene-2,6,9-(9bH)-trione (3aR,5R,7aR)-5-(2-hydroxypropan-2-yl)-7a-methylhexahydro-2H-furo[3,2-b]pyran-2-one 2,2,3b-trimethyl-7-vinyl-3a,5,7a,8a-tetrahydro-3bH-1,3,4,8-tetracyclopenta[a]indene ethyl 4-oxo-3-phenyl-3,3a,4,6-tetrahydro-1H-furo[3,4-c]pyran-3a-carboxylate methyl (2R,2aR,4aS,7aS,7bS)-2-methoxy-6-methyl-4-oxo-5-pentyl-2a,4,4a,7b-tetrahydro-2H-1,3,7-trioxacyclopenta[cd]indene-7a-carboxylate 4-nonyl-3-phenylhexahydro-1H-furo[3,4-c]pyran 3'-(4-methoxyphenyl)-7a'-methyl-4'H,6'H-spiro[cyclohexane-1,5'-furo[2,3-b]pyran]-2'(7a'H)-one 3',7a'-dimethyl-4'H,6'H-spiro[cyclohexane-1,5'-furo[2,3-b]pyran]-2'(7a'H)-one 2-(methylsulfanyl)-5,6-dihydro-4H-furo[2,3-b]pyran 1,1-(3-dimethylamino-3-phenylpentamethylen)-3,4-dihydro-1H-2,9-dioxafluoren 7-cyclopropyl-4,5,7,7a-tetrahydro-furo[2,3-c]pyran-2-one 7-cyclopropyl-3-phenyl-4,5,7,7a-tetrahydro-furo[2,3-c]pyran-2-one 7-cyclopropyl-3-phenyl-4,5,7,7a-tetrahydro-furo[2,3-c]pyran-2-one (4'R)-6-O-(4-cyanophenyl)-1,2,3,4-tetradeoxy-4'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2',3',4',5'-tetrahydro-α-D-erythro-hexopyranoso[1,2-b]furan 2,2,3,6-tetramethyl-2,3-dihydro-4H-furo[2,3-b]pyran-4-one (1aR,4aS,5R)-7-carboethoxy-5-methylethyl-tetrahydrofurano[2,3-b]3,4-dihydro-2H-pyran (3aS,4S,7aR)-ethyl 4-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-6-carboxylate