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(4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-五羟基-7,9,17-三氧基-4b,5,6,7,9,11,11a,13,14,15,15a,17-十二氢-4,6-环氧二苯并[g,i]吡喃[3,2-b][1,5]二氧酰基十一碳烯-13,14,15-三(3,4,5-三羟基苯甲酸酯) | 58690-20-3

(4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-五羟基-7,9,17-三氧基-4b,5,6,7,9,11,11a,13,14,15,15a,17-十二氢-4,6-环氧二苯并[g,i]吡喃[3,2-b][1,5]二氧酰基十一碳烯-13,14,15-三(3,4,5-三羟基苯甲酸酯)结构式图片|58690-20-3结构式图片
(4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-五羟基-7,9,17-三氧基-4b,5,6,7,9,11,11a,13,14,15,15a,17-十二氢-4,6-环氧二苯并[g,i]吡喃[3,2-b][1,5]二氧酰基十一碳烯-13,14,15-三(3,4,5-三羟基苯甲酸酯)
(4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-pentahydroxy-7,9,17-trioxo-4b,5,6,7,9,11,11a,13,14,15,15a,17-dodecahydro-4,6-epoxydibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-trihydroxybenzoate)
58690-20-3
C41H30O27
954.660700000001
471122
名称和标识符
InChIKey QFJVFTCFAZSXCY-QTXLKUQUSA-N
Inchi InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25?,30-,32?,33?,39?,41-/m1/s1
SMILES C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O1)O)O
别名信息
- 中文别名 -
- 英文别名 -
  • (4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-pentahydroxy-7,9,17-trioxo-4b,5,6,7,9,11,11a,13,14,15,15a,17-dodecahydro-4,6-epoxydibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-trihydroxybenzoate)
  • (4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-pentahydroxy-7,9,17-trioxo-4b,5,6,7,9,11,11a,13,14,15,15a,17-dodecahydro-4,6-epoxydibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-tr
  • Trapain
  • Q27107017
  • Isoterchebin
  • C10232
  • [(1S,8R,10S,11R,12S,13R,22S)-1,18,19,23,23-pentahydroxy-2,5,15-trioxo-10,11-bis[(3,4,5-trihydroxybenzoyl)oxy]-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraen-12-yl] 3,4,5-trihydroxybenzoate
  • DTXSID501099158
  • CHEBI:6065
  • beta-D-Glucopyranose, cyclic 4-->7:6-->5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate)
  • 58690-20-3
  • [pentahydroxy-trioxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl] 3,4,5-trihydroxybenzoate
  • beta-D-Glucopyranose, cyclic 4-7:6-5-((2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate)
  • .beta.-D-Glucopyranose, cyclic 4.fwdarw.7:6.fwdarw.5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate)
物化性质
实验特性
折射率 1.899
沸点 1440.5°C at 760 mmHg
闪点 433.4°C
密度 2.16
计算特性
精确分子量 954.097446
氢键供体数量 14
氢键受体数量 27
可旋转化学键数量 9
同位素质量 954.097446
重原子数量 68
复杂度 1990
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 4
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
拓扑分子极性表面积 450
相关文献
专业数据库参考
PubChemId 471122
960化工网为您提供(4bS,6S,11aR,13S,14R,15S,15aR)-2,3,5,5,6-五羟基-7,9,17-三氧基-4b,5,6,7,9,11,11a,13,14,15,15a,17-十二氢-4,6-环氧二苯并[g,i]吡喃[3,2-b][1,5]二氧酰基十一碳烯-13,14,15-三(3,4,5-三羟基苯甲酸酯)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:58690-20-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等
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