[3,16alpha-二羟基雌甾-1,3,5(10)-三烯-17beta-基](甲基)马来酸氢铵
[CAS# 80177-51-1]

基本信息

• 产品名称: [3,16alpha-二羟基雌甾-1,3,5(10)-三烯-17beta-基](甲基)马来酸氢铵
• 英文名: [3,16alpha-Dihydroxyestra-1,3,5(10)-Trien-17beta-Yl](Methyl)Ammonium Hydrogen Maleate
• 别名: [(13S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-Methyl-Ammonium; (Z)-4-Hydroxy-4-Oxo-But-2-Enoate; [(13S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-Methylammonium; (Z)-4-Hydroxy-4-Oxobut-2-Enoate; [(13S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-Methyl-Ammonium; (Z)-4-Hydroxy-4-Keto-But-2-Enoate
• 分子式: C₂₃H₃₁NO₆
• 分子量: 417.50
• CAS 登录号: 80177-51-1
• EINECS 登录号: 279-413-5
• 分子行输入简码 SMILES: [C@]34(C(C1C(C2=C(CC1)C=C(O)C=C2)CC3)C[C@@H](O)[C@@H]4[NH2+]C)C.O=C([O-])\C=C/C(=O)O
• 国际化学标识码 InChI: 1S/C19H27NO2.C4H4O4/c1-19-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20-2;5-3(6)1-2-4(7)8/h4,6,9,14-18,20-22H,3,5,7-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14?,15?,16?,17-,18+,19+;/m1./s1
• 国际化学标识检索码 InChIKey: UDCGSEPMGRJOAG-QJTLZUENSA-N

物理化学性质

• 沸点: 479.5°C at 760 mmHg （计算值）
• 闪点: 139.4°C （计算值）