1,3,5[10]-雌甾三烯-3,16alpha,17beta-三羟基 17-葡糖苷酸
[CAS# 7219-89-8]

基本信息

• 产品名称: 1,3,5[10]-雌甾三烯-3,16alpha,17beta-三羟基 17-葡糖苷酸
• 英文名: 1,3,5[10]-Estratriene-3,16alpha,17beta-Trihydroxy 17-Glucuronide
• 别名: (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylate; (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylate; (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylate
• 分子式: C₂₄H₃₁O₉
• 分子量: 463.50
• CAS 登录号: 7219-89-8
• 分子行输入简码 SMILES: [C@]14([C@H]([C@H]2[C@H](CC1)C3=C(CC2)C=C(O)C=C3)C[C@@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)C
• 国际化学标识码 InChI: 1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1
• 国际化学标识检索码 InChIKey: CZGFLAQOJPXVRV-FLVROIOLSA-M

物理化学性质

• 沸点: 738.258°C at 760 mmHg （计算值）
• 闪点: 253.531°C （计算值）