(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-(((2aS,4S,5’S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5’,6a,8a,9-Tetramethyloctadecahydrospiro[Naphtho[2’,1’:4,5]Indeno[2,1-B]Furan-10,2’-Piperidin]-4-Yl)Oxy)Tetra (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-二羟基-2-(羟甲基)-6-(((2aS,4S,5’S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5’,6a,8a,9-四甲基十八氢螺[萘并[2’,1’:4,5]茚并[2,1-b]呋喃-10,2’-哌啶]-4-基)氧基)四氢-2H-吡喃-3-基)氧基)-5-羟基-6-(羟甲基)-4-(((2S,3R,4S,5R)-3,4,5-三羟基四氢-2H-吡
CAS 17406-45-0 MFCD00016888
化学结构图
SMILES: C[C@@H]1CNC2(CC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
化学属性
| Mol. Formula | C50H83NO21 |
|---|---|
| Mol. Weight | 1034.20 |
别名和识别编码
| Chemical Name | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-(((2aS,4S,5’S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5’,6a,8a,9-Tetramethyloctadecahydrospiro[Naphtho[2’,1’:4,5]Indeno[2,1-B]Furan-10,2’-Piperidin]-4-Yl)Oxy)Tetra |
|---|---|
| MDL Number | MFCD00016888 |
| CAS Number | 17406-45-0 |
| Chemical Name Translation | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-二羟基-2-(羟甲基)-6-(((2aS,4S,5’S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5’,6a,8a,9-四甲基十八氢螺[萘并[2’,1’:4,5]茚并[2,1-b]呋喃-10,2’-哌啶]-4-基)氧基)四氢-2H-吡喃-3-基)氧基)-5-羟基-6-(羟甲基)-4-(((2S,3R,4S,5R)-3,4,5-三羟基四氢-2H-吡 |
| Reaxys-RN | 78250 |
| Merck Number | 9545 |
| PubChem Substance ID | 354334699 |
| Synonym | A''-Tomatidine alpha-Tomatine Tomatidine, glycoside Lycopersicin Tomatin |
| Beilstein Registry Number | 0078250 |
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相关文献及参考
- [1]. da Silva DC, et al. Neurotoxicity of the steroidal alkaloids tomatine and tomatidine is RIP1 kinase- and caspase-independent and involves the eIF2α branch of the endoplasmic reticulum. J Steroid Biochem Mol Biol. 2017 Jul;171:178-186.
安全信息
- H302 Harmful if swallowed 吞食有害
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P301+P312+P330
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
GHS Symbol
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),218,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 25 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : SZAPAC Schweizerische Zietschrift fuer Allgemeine Pathologie und Bakteriologie. (White Plains, NY) V.1-3, 1938-40; V.13-22, 1950-59. For publisher information, see ECEBDI. Volume(issue)/page/year: 22,557,1959
TYPE OF TEST : DNA inhibition TEST SYSTEM : Microorganism - not otherwise specified DOSE/DURATION : 25 ppm REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979
TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Microorganism - not otherwise specified DOSE/DURATION : 25 ppm REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979
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