簇生黄韧伞酸B
[CAS# 126882-55-1]

基本信息

• 产品名称: 簇生黄韧伞酸B
• 英文名: Fasciculic Acid B
• 别名: 5-[[(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3,12-Dihydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-3-Hydroxy-3-Methyl-5-Oxo-Pentanoic Acid; 5-[[(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethylhexyl]-3,12-Dihydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid; 5-[[(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3,12-Dihydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-3-Hydroxy-5-Keto-3-Methyl-Valeric Acid
• 分子式: C₃₆H₆₀O₉
• 分子量: 636.86
• CAS 登录号: 126882-55-1
• 分子行输入简码 SMILES: [C@]34([C@](C2=C([C@@]1(C(C([C@@H](O)[C@H](OC(=O)CC(O)(CC(=O)O)C)C1)(C)C)CC2)C)C[C@@H]3O)(CC[C@@H]4[C@@H](CC[C@@H](O)C(O)(C)C)C)C)C
• 国际化学标识码 InChI: 1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)/t20-,21-,24-,25?,26-,27+,30+,33?,34-,35+,36+/m1/s1
• 国际化学标识检索码 InChIKey: SWRXIGFQDQTNKP-RAOJVCEKSA-N

物理化学性质

• 密度: 1.217g/cm³ （计算值）
• 沸点: 767.603°C at 760 mmHg （计算值）
• 闪点: 231.157°C （计算值）