17-氧代雌甾-1,3,5(10)-三烯-3-基-beta-D-吡喃葡糖苷酸
[CAS# 2479-90-5]

基本信息

• 产品名称: 17-氧代雌甾-1,3,5(10)-三烯-3-基-beta-D-吡喃葡糖苷酸
• 英文名: 17-Oxoestra-1,3,5(10)-Trien-3-Yl-beta-D-Glucopyranosiduronic Acid
• 别名: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-17-Keto-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₂₄H₃₀O₈
• 分子量: 446.50
• CAS 登录号: 2479-90-5
• 分子行输入简码 SMILES: [C@H]25[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C4=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C=C4CC5)C
• 国际化学标识码 InChI: 1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
• 国际化学标识检索码 InChIKey: FJAZVHYPASAQKM-JBAURARKSA-N

物理化学性质

• 密度: 1.42g/cm³ （计算值）
• 沸点: 703.773°C at 760 mmHg （计算值）
• 闪点: 242.891°C （计算值）

参考文献

• (1): C. M. Smales, L. F. Blackwell, J. M. Waters and A. K. Burrell. An Estrone-Glucuronide Conjugate, Acta Cryst. (1997). C53, 1082-1084