人参皂苷 Rb1 | 41753-43-9

中文名称:人参皂苷 Rb1
英文名称:Ginsenoside Rb1
CAS No.:41753-43-9
分子式:C54H92O23 分子量:1109.2945
名称和标识符
  • InChIKey:GZYPWOGIYAIIPV-APZIJOAJSA-N
  • Inchi:1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51-,52+,53+,54-/m0/s1
  • SMILES:O([H])C1([H])C([H])([H])C2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C(C([H])([H])[H])(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])OC3([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])OC4([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O4)O[H])O[H])O[H])O3)O[H])O[H])O[H])C21[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
中文别名
  • 人参皂苷 Rb1
  • 人参皂甙 Rb1
  • WAKO079-02191人参皂苷Rb1标准品
  • 八氯苯乙烯
  • 人参皂苷 Rb1 Ginsenoside Rb1
  • 人参皂苷 Rb1 橙皮苷 新橙皮苷 盐酸巴马汀
  • 人参皂苷 Rb1(AS)
  • 人参皂苷 Rb1标准品(JP)
  • 人参皂苷Rb 3
  • 人参皂苷Rb1 对照品标准品
  • 人参皂苷Rb1 EP标准品
  • 人参皂苷Rb1 标准品
  • 人参皂苷Rb1(标准品)
  • 人参皂苷Rb1(三七皂苷Rb1)
  • 人参皂苷Rb1,Ginsenoside-Rb1,植物提取物,标准品,对照品
  • 人参皂苷Rg1纯度标准物质
  • 分析对照品
  • 人参皂甙
  • 人参皂苷Rg1纯度标准物质 人参皂甙 Rb1
  • 人参皂苷Rb1
英文别名
  • ginsenoside rb1
  • GINSENOSIDE GINSENOSIDE-RB1
  • Ginsenoside Rb1 (saponin of panax ginseng)
  • GINSENOSIDE Rb1(P) PrintBack
  • Ginsenoside-Rb1
  • ginsinoside Rb1
  • Gypenoside III
  • Ginsenoside Rb1
  • arasaponine1
  • ginseng Rb1
  • Ginsenoside-Rb1 from Panax ginseng (Korean ginseng) root
  • gynosaponinc
  • GYPENOSIDE
  • Gypenoside I
  • Panaxoside Rb1
  • panaxsaponine
  • SANCHINOSIDE E1
  • 2-O-β-Glucopyranosyl-(3β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl β-D-glucopyranoside
  • (3beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
  • (3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2S,3S,4R,5R,6S)-4,5-D
  • (3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2S,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • CID 117590645
  • 2-[[6-[(2S)-2-[(8R,10R,14R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)
计算特性
  • 精确分子量:1108.60000
  • 氢键供体数量:15
  • 氢键受体数量:23
  • 可旋转化学键数量:16
  • 同位素质量:1108.60293918 g/mol
  • 重原子数量:77
  • 复杂度:2000
  • 同位素原子数量:0
  • 确定原子立构中心数量:28
  • 不确定原子立构中心数量:2
  • 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):0.3
  • 互变异构体数量:1108
  • 表面电荷:0
  • 拓扑分子极性表面积:377
  • 分子量:1109.3
实验特性
  • LogP:-2.20260
  • PSA:377.29000
  • 折射率:1.6500 (estimate)
  • 沸点:766.35°C (rough estimate)
  • 熔点:197.5°C
  • 溶解度:methanol: soluble9.80 - 10.20 mg/mL, clear, colorless to faintly yellow
  • 颜色与性状:Powder
  • 溶解性:不溶于乙醚、氯仿、丙酮、苯、石油醚等有机溶剂,易溶于含水甲醇、含水乙醇、正丁醇以及温水中。
  • 密度:1.0971 (rough estimate)
国际标准相关数据
  • EINECS:255-532-8