雌三醇 3-葡糖苷酸
[CAS# 2479-91-6]

基本信息

• 产品名称: 雌三醇 3-葡糖苷酸
• 英文名: Estriol 3-glucosiduronate
• 别名: (2S,3S,4S,5R,6S)-6-[[(13S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[(13S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[[(13S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• 分子式: C₂₄H₃₂O₉
• 分子量: 464.51
• CAS 登录号: 2479-91-6
• 分子行输入简码 SMILES: [C@H]5(OC1=CC2=C(C=C1)C4C(CC2)C3C[C@H]([C@@H]([C@@]3(C)CC4)O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)C(=O)O
• 国际化学标识码 InChI: 1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13?,14?,15?,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
• 国际化学标识检索码 InChIKey: UZKIAJMSMKLBQE-WTSDUJKYSA-N

物理化学性质

• 密度: 1.489g/cm³ （计算值）
• 沸点: 722.255°C at 760 mmHg （计算值）
• 闪点: 247.662°C （计算值）