Tomatidine 番茄碱

CAS 77-59-8 MFCD00075644

化学结构图

77-59-8
SMILES: C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

化学属性

Mol. FormulaC27H45NO2
Mol. Weight415.658
Melting Point210-211

别名和识别编码

Chemical NameTomatidine
Synonym (22S,25S)-5α-spirosolan-3β-ol (3,5a,22, 25S)-Spirosolan-3-ol; 5-alpha-Tomatidan-3-beta-ol (3ß,5a,22ß, 25S)-Spirosolan-3-ol; 5-alpha-Tomatidan-3-beta-ol 5 alpha,20 beta(F),22 alpha(F),25 beta(F),27- azaspirostan-3 beta-ol 5α-Tomatidan-3β-ol Spirosolan-3-ol, (3β,5α,22β,25S)- Tomatidine tomatidine tomatidine, (3beta,5alpha,22alpha,25R)-isomer
Chemical Name Translation番茄碱
EC Number201-040-3
LabNetwork Molecule IDLN04669325
PubChem Substance ID65576
InChIInChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 8ring; 9ring; 10ring; 12ring; 13ring; 14ring; 16ring; 17ring; 20ring; spiro; alcohol; chiral; 1fragment

相关文献及参考

  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
Signal word Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P312
  • P304+P340
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H331 Toxic if inhaled 吸入中毒

系列性分类

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