[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-氟-11,17-二羟基-10,13,16-三甲基-3-氧代-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-17-基]-2-氧代-乙基]吡啶-4-羧酸酯
[CAS# 68402-70-0]

基本信息

• 产品名称: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-氟-11,17-二羟基-10,13,16-三甲基-3-氧代-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-17-基]-2-氧代-乙基]吡啶-4-羧酸酯
• 英文名: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16- Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren -17-Yl]-2-Oxo-Ethyl] Pyridine-4-Carboxylate
• 别名: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Pyridine-4-Carboxylate; 4-Pyridinecarboxylic Acid [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Isonicotinic Acid [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• 分子式: C₂₈H₃₂FNO₆
• 分子量: 497.56
• CAS 登录号: 68402-70-0
• 分子行输入简码 SMILES: [C@H]35[C@H]2[C@@]([C@@]1(C(=CC(=O)C=C1)CC2)C)([C@@H](O)C[C@@]3([C@](C(COC(C4=CC=NC=C4)=O)=O)(O)[C@@H](C5)C)C)F
• 国际化学标识码 InChI: 1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1
• 国际化学标识检索码 InChIKey: BQTXJHAJMDGOFI-NJLPOHDGSA-N

物理化学性质

• 密度: 1.348g/cm³ （计算值）
• 沸点: 675.964°C at 760 mmHg （计算值）
• 闪点: 362.61°C （计算值）