151990-70-4 (L-甘油-D-三癸-10-烯-7-酮-7,4-呋喃甲酸,2,7-脱水-3,4-二-C-羧基-8,9,10,11,12,13-六脱氧-12-(3-苯基丙基)-,5-[(4E)-6-甲基-9-苯基-4-壬酸酯],(7S,10E,12x)-(9CI),L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonicacid,2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-,5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12x)- (9CI))

CAS号:
151990-70-4
中文名称:
L-甘油-D-三癸-10-烯-7-酮-7,4-呋喃甲酸,2,7-脱水-3,4-二-C-羧基-8,9,10,11,12,13-六脱氧-12-(3-苯基丙基)-,5-[(4E)-6-甲基-9-苯基-4-壬酸酯],(7S,10E,12x)-(9CI)
英文名称:
L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonicacid,2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-,5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12x)- (9CI)
分子式:
C40H50O12
分子量:
722.817813396454

L-甘油-D-三癸-10-烯-7-酮-7,4-呋喃甲酸,2,7-脱水-3,4-二-C-羧基-8,9,10,11,12,13-六脱氧-12-(3-苯基丙基)-,5-[(4E)-6-甲基-9-苯基-4-壬酸酯],(7S,10E,12x)-(9CI)(151990-70-4)名称与标识符

名称

英文别名:
L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonicacid,2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-,5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12x)- (9CI);2,8-Dioxabicyclo[3.2.1]octane,L-glycero-D-altro-tridec-10-en-7-ulo-7,4-furanosonic acid deriv.;L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonicacid,2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-,5-(6-methyl-9-phenyl-4-nonenoate), [5(4E),7S,10E,12x]-;Zaragozicacid E;L-Glycero-D-altro-tridec-10-en-7-ulo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-c-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-, 5-((4E)-6-methyl-9-phenyl-4-nonenoate), (7S,10E,12xi)-;CS-0107073;BTV2R9I8D4;Q27274882;UNII-BTV2R9I8D4;151990-70-4;zaragozic acid E;HY-130306;L-GLYCERO-D-ALTRO-TRIDEC-10-EN-7-ULO-7,4-FURANOSONIC ACID, 2,7-ANHYDRO-3,4-DI-C-CARBOXY-8,9,10,11,12,13-HEXADEOXY-12-(3-PHENYLPROPYL)-, 5-((4E)-6-METHYL-9-PHENYL-4-NONENOATE), (7S,10E,12.XI.)-;L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-, 5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12xi)-;DTXSID701098601;(1S,3S,4S,5R,6R,7R)-4,7-dihydroxy-6-[(E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy-1-[(E,5R)-5-methyl-8-phenyloct-3-enyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid;

标识符

InChIKey:
HPNWHOBVFZEFCZ-IMGBLTPTSA-N
Inchi:
1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)/b15-9+,16-11+/t27-,28-,32+,33+,34+,38-,39+,40-/m0/s1
SMILES:
O1[C@@]2(CC/C=C/[C@H](C)CCCC3C=CC=CC=3)[C@@H]([C@H]([C@]1(C(=O)O)[C@](C(=O)O)([C@@H](C(=O)O)O2)O)OC(CC/C=C/[C@H](C)CCCC1C=CC=CC=1)=O)O

L-甘油-D-三癸-10-烯-7-酮-7,4-呋喃甲酸,2,7-脱水-3,4-二-C-羧基-8,9,10,11,12,13-六脱氧-12-(3-苯基丙基)-,5-[(4E)-6-甲基-9-苯基-4-壬酸酯],(7S,10E,12x)-(9CI)(151990-70-4)物化性质

计算特性

  • 精确分子量 : 722.33
  • 氢键供体数量 : 5
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 21
  • 同位素质量 : 722.33
  • 重原子数量 : 52
  • 复杂度 : 1270
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 2
  • 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) : 6.7
  • 拓扑分子极性表面积 : 197A^2

L-甘油-D-三癸-10-烯-7-酮-7,4-呋喃甲酸,2,7-脱水-3,4-二-C-羧基-8,9,10,11,12,13-六脱氧-12-(3-苯基丙基)-,5-[(4E)-6-甲基-9-苯基-4-壬酸酯],(7S,10E,12x)-(9CI)(151990-70-4)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海源溪生物科技有限公司 13564518121李经理 1724405207 询单

L-甘油-D-三癸-10-烯-7-酮-7,4-呋喃甲酸,2,7-脱水-3,4-二-C-羧基-8,9,10,11,12,13-六脱氧-12-(3-苯基丙基)-,5-[(4E)-6-甲基-9-苯基-4-壬酸酯],(7S,10E,12x)-(9CI)(151990-70-4)相关文献