N-丁基-2-[5-[4-[(11S,13S,17S)-3,17-二羟基-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-11-基]苯氧基]戊基硫基]-N-甲基乙酰胺
[CAS# 134413-34-6]

基本信息

• 产品名称: N-丁基-2-[5-[4-[(11S,13S,17S)-3,17-二羟基-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-11-基]苯氧基]戊基硫基]-N-甲基乙酰胺
• 英文名: N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-11-Yl]Phenoxy]Pentylsulfanyl]-N-Methylacetamide
• 别名: N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenoxy]Pentylsulfanyl]-N-Methyl-Acetamide; N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenoxy]Pentylthio]-N-Methylacetamide; N-Butyl-2-[5-[4-[(11S,13S,17S)-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenoxy]Pentylthio]-N-Methyl-Acetamide
• 分子式: C₃₆H₅₁NO₄S
• 分子量: 593.86
• CAS 登录号: 134413-34-6
• 分子行输入简码 SMILES: [C@@H]4(CCC5C2CCC1=C(C=CC(=C1)O)C2[C@@H](C3=CC=C(OCCCCCSCC(=O)N(C)CCCC)C=C3)C[C@]45C)O
• 国际化学标识码 InChI: 1S/C36H51NO4S/c1-4-5-19-37(3)34(40)24-42-21-8-6-7-20-41-28-13-9-25(10-14-28)31-23-36(2)32(17-18-33(36)39)30-15-11-26-22-27(38)12-16-29(26)35(30)31/h9-10,12-14,16,22,30-33,35,38-39H,4-8,11,15,17-21,23-24H2,1-3H3/t30?,31-,32?,33+,35?,36+/m1/s1
• 国际化学标识检索码 InChIKey: SMZZRUZIOSLOJZ-DFGZGYOGSA-N

物理化学性质

• 密度: 1.14g/cm³ （计算值）
• 沸点: 735.773°C at 760 mmHg （计算值）
• 闪点: 398.781°C （计算值）