N-丽丝胺若丹明基-(12-氨基十二碳酰基)脑苷 3-硫酸酯
[CAS# 128969-82-4]

基本信息

• 产品名称: N-丽丝胺若丹明基-(12-氨基十二碳酰基)脑苷 3-硫酸酯
• 英文名: N-Lissamine rhodaminyl-(12-aminododecanoyl)cerebroside 3-sulfate
• 别名: 2-(3-Diethylamino-6-Diethylazaniumylidene-Xanthen-9-Yl)-5-[[12-[[(E,1S,2R)-1-[[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Sulfooxy-Tetrahydropyran-2-Yl]Oxymethyl]-2-Hydroxy-Heptadec-3-Enyl]Amino]-12-Oxo-Dodecyl]Sulfamoyl]Benzenesulfonate; 2-(3-Diethylamino-6-Diethylazaniumylidene-9-Xanthenyl)-5-[[12-[[(E,1S,2R)-1-[[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Sulfooxy-2-Tetrahydropyranyl]Oxymethyl]-2-Hydroxyheptadec-3-Enyl]Amino]-12-Oxododecyl]Sulfamoyl]Benzenesulfonate; 2-(3-Diethylamino-6-Diethylazaniumylidene-Xanthen-9-Yl)-5-[[12-[[(E,1S,2R)-1-[[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-Methylol-4-Sulfoxy-Tetrahydropyran-2-Yl]Oxymethyl]-2-Hydroxy-Heptadec-3-Enyl]Amino]-12-Keto-Dodecyl]Sulfamoyl]Benzenesulfonate
• 分子式: C₆₃H₉₈N₄O₁₇S₃
• 分子量: 1279.66
• CAS 登录号: 128969-82-4
• 分子行输入简码 SMILES: [O+]1=C5C(=C(C2=C1C=C(N(CC)CC)C=C2)C4=CC=C([S](=O)(=O)NCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]3O[C@@H]([C@H](O)[C@H](O[S](=O)(=O)O)[C@H]3O)CO)[C@H](O)\C=C\CCCCCCCCCCCCC)C=C4[S]([O-])(=O)=O)C=CC(=C5)N(CC)CC
• 国际化学标识码 InChI: 1S/C63H98N4O17S3/c1-6-11-12-13-14-15-16-17-18-20-23-26-29-32-53(69)52(45-81-63-61(72)62(84-87(78,79)80)60(71)56(44-68)83-63)65-58(70)33-30-27-24-21-19-22-25-28-31-40-64-85(73,74)48-36-39-51(57(43-48)86(75,76)77)59-49-37-34-46(66(7-2)8-3)41-54(49)82-55-42-47(35-38-50(55)59)67(9-4)10-5/h29,32,34-39,41-43,52-53,56,60-64,68-69,71-72H,6-28,30-31,33,40,44-45H2,1-5H3,(H2-,65,70,75,76,77,78,79,80)/b32-29+/t52-,53+,56+,60-,61+,62-,63+/m0/s1
• 国际化学标识检索码 InChIKey: FIRSTKRJDGFCEJ-FVLPCCLVSA-N