132150-13-1 (b-D-吡喃葡萄糖苷,10-(4-羟基-5,6-二甲氧基-3-甲基-2-吡啶基)-1-(3-羟基-1-甲基-1-丙烯基)-2,4,8-三甲基-3,5,8-癸三烯基,[R-[R*,R*-(all-E)]]-(9CI),b-D-Glucopyranoside,10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8-decatrienyl,[R-[R*,R*-(all-E)]]- (9CI))

CAS号:
132150-13-1
中文名称:
b-D-吡喃葡萄糖苷,10-(4-羟基-5,6-二甲氧基-3-甲基-2-吡啶基)-1-(3-羟基-1-甲基-1-丙烯基)-2,4,8-三甲基-3,5,8-癸三烯基,[R-[R*,R*-(all-E)]]-(9CI)
英文名称:
b-D-Glucopyranoside,10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8-decatrienyl,[R-[R*,R*-(all-E)]]- (9CI)
分子式:
C31H47NO10
分子量:
593.705590486526

b-D-吡喃葡萄糖苷,10-(4-羟基-5,6-二甲氧基-3-甲基-2-吡啶基)-1-(3-羟基-1-甲基-1-丙烯基)-2,4,8-三甲基-3,5,8-癸三烯基,[R-[R*,R*-(all-E)]]-(9CI)(132150-13-1)名称与标识符

名称

英文别名:
b-D-Glucopyranoside,10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8-decatrienyl,[R-[R*,R*-(all-E)]]- (9CI);13-hydroxyglucopiericidin A;2-[(2Z,5Z,7Z,9R,10R,11Z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one;b-D-Glucopyranoside,10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-...;b-D-Glucopyranoside,10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8;(1R,2R,3Z,5Z,8Z)-10-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydropyridin-2-yl)-1-[(1Z)-3-hydroxy-1-methylprop-1-en-1-yl]-2,4,8-trimethyldeca-3,5,8-trien-1-yl beta-D-glucopyranoside;beta-D-Glucopyranoside, 10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-1-(3-hydroxy-1-methyl-1-propenyl)-2,4,8-trimethyl-3,5,8-decatrienyl, (R-(R*,R*(all-E)))-;132150-13-1;

标识符

InChIKey:
ZNDBGWYPOYJCKZ-KQTYKWADSA-N
Inchi:
1S/C31H47NO10/c1-17(11-12-22-21(5)24(35)29(39-6)30(32-22)40-7)9-8-10-18(2)15-20(4)28(19(3)13-14-33)42-31-27(38)26(37)25(36)23(16-34)41-31/h8,10-11,13,15,20,23,25-28,31,33-34,36-38H,9,12,14,16H2,1-7H3,(H,32,35)/b10-8-,17-11-,18-15-,19-13-/t20-,23-,25-,26+,27-,28+,31+/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H](/C(=C\CO)/C)[C@@H](/C=C(\C=C/C/C(/C)=C\CC1=C(C)C(C(=C(N1)OC)OC)=O)/C)C

b-D-吡喃葡萄糖苷,10-(4-羟基-5,6-二甲氧基-3-甲基-2-吡啶基)-1-(3-羟基-1-甲基-1-丙烯基)-2,4,8-三甲基-3,5,8-癸三烯基,[R-[R*,R*-(all-E)]]-(9CI)(132150-13-1)物化性质

实验特性

  • PSA : 167.17
  • 折射率 : 1.577
  • 沸点 : 825.9°Cat760mmHg
  • 闪点 : 453.3°C
  • 密度 : 1.24

计算特性

  • 精确分子量 : 593.32011
  • 氢键供体数量 : 6
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 14
  • 同位素质量 : 593.319997
  • 重原子数量 : 42
  • 复杂度 : 1120
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 4
  • 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) : 3.2
  • 拓扑分子极性表面积 : 167