(8S,9R,10S,11S,13S,14S,16R,17R)-9-氟-11,17-二羟基-17-[2-(2-异硫氰酸基乙基硫基)乙酰基]-10,13,16-三甲基-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-3-酮
[CAS# 131567-23-2]

基本信息

• 产品名称: (8S,9R,10S,11S,13S,14S,16R,17R)-9-氟-11,17-二羟基-17-[2-(2-异硫氰酸基乙基硫基)乙酰基]-10,13,16-三甲基-6,7,8,11,12,14,15,16-八氢环戊烯并[a]菲-3-酮
• 英文名: (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-[2-(2-Isothiocyanatoethylsulfanyl)Acetyl]-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-3-One
• 别名: (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-[2-(2-Isothiocyanatoethylthio)-1-Oxoethyl]-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-[2-(2-Isothiocyanatoethylthio)Acetyl]-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-[2-(2-Isothiocyanatoethylsulfanyl)Ethanoyl]-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• 分子式: C₂₅H₃₂FNO₄S₂
• 分子量: 493.65
• CAS 登录号: 131567-23-2
• 分子行输入简码 SMILES: S=C=NCCSCC(=O)[C@]4(O)[C@@]3([C@H]([C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C3)C[C@H]4C)C
• 国际化学标识码 InChI: 1S/C25H32FNO4S2/c1-15-10-19-18-5-4-16-11-17(28)6-7-22(16,2)24(18,26)20(29)12-23(19,3)25(15,31)21(30)13-33-9-8-27-14-32/h6-7,11,15,18-20,29,31H,4-5,8-10,12-13H2,1-3H3/t15-,18+,19+,20+,22+,23+,24+,25+/m1/s1
• 国际化学标识检索码 InChIKey: WTZZZLTVUGGSLC-DCWIGXARSA-N

物理化学性质

• 密度: 1.374g/cm³ （计算值）
• 沸点: 654.701°C at 760 mmHg （计算值）
• 闪点: 349.751°C （计算值）