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β-Tomatine | 17406-46-1
17406-46-1

Product Name:β-Tomatine

CAS No:17406-46-1
MF:C45H75NO17
MW:902.073
CID:2069474
PubChem ID:76517846
Introduction
β-Tomatine 是 α-番茄碱的降解产物,是一种真菌毒性较少的化合物。β-Tomatine 可以抑制植物防御反应。
Names and Identifiers
  • beta1-Tomatine
  • β-Tomatine
  • InChIKey:DMUPZSDWJVULSC-UHFFFAOYSA-N
  • Inchi:1S/C45H75NO17/c1-19-7-12-45(46-15-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3
  • SMILES:C12(CCC3C4(C)CCC(OC5C(C(C(OC6C(OC7C(O)C(O)C(O)C(CO)O7)C(O)C(O)C(CO)O6)C(CO)O5)O)O)CC4CCC3C1CC1C2C(C)C2(NCC(C)CC2)O1)C
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 901.50349992g/mol
  • 氢键供体数量: 11
  • 氢键受体数量: 18
  • 可旋转化学键数量: 9
  • 同位素质量: 901.50349992g/mol
  • 重原子数量: 63
  • 复杂度: 1580
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 27
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 0.9
  • 拓扑分子极性表面积: 279Ų
Price Data Available
Brand:Biopurify Supplier:Chengdu Biopurify Phytochemicals Ltd
No. Purity Stock Specification Price update time operate
BP2152-20mg 98% 20mg $750/ ¥5,447.40 19 Sep. 2023
BP2152-5mg 98% 5mg $250/ ¥1,815.80 19 Sep. 2023
BP2152-10mg 98% 10mg $450/ ¥3,268.44 19 Sep. 2023
BP2152-20mg 98% 20mg $750/ ¥5,447.40 19 Sep. 2023
BP2152-5mg 98% 5mg $250/ ¥1,815.80 19 Sep. 2023
BP2152-10mg 98% 10mg $450/ ¥3,268.44 19 Sep. 2023
Brand:Mce Supplier:MedChemExpress
No. Purity Stock Specification Price update time operate
HY-N7682-1mg 1mg ¥2200 31 Aug. 2022
HY-N7682-1mg 1mg ¥2200 08 Jul. 2021
Brand:chemscene Supplier:ChemScence
No. Purity Stock Specification Price update time operate
CS-0135201-1mg Backordered 1mg $220.0/ ¥1,597.90 27 Apr. 2022
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