(8S,11R,13S,14S,17S)-11-[4-[(E)-羟基亚氨甲基]苯基]-17-甲氧基-17-(甲氧基甲基)-13-甲基-1,2,6,7,8,11,12,14,15,16-十氢环戊烯并[a]菲-3-酮
[CAS# 199396-76-4]

基本信息

• 产品名称: (8S,11R,13S,14S,17S)-11-[4-[(E)-羟基亚氨甲基]苯基]-17-甲氧基-17-(甲氧基甲基)-13-甲基-1,2,6,7,8,11,12,14,15,16-十氢环戊烯并[a]菲-3-酮
• 英文名: (8S,11R,13S,14S,17S)-11-[4-[(E)-Hydroxyiminomethyl]Phenyl]-17-Methoxy-17-(Methoxymethyl)-13-Methyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
• 别名: 4-[(8S,11R,13S,14S,17S)-17-Methoxy-17-(Methoxymethyl)-13-Methyl-3-Oxo-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Benzaldehyde Oxime; 4-[(8S,11R,13S,14S,17S)-3-Keto-17-Methoxy-17-(Methoxymethyl)-13-Methyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Benzaldoxime; 11Beta-(4-((E)-(Hydroxyimino)Methyl)Phenyl)-17Beta-Methoxy-17-(Methoxymethyl)Estra-4,9-Dien-3-One
• 分子式: C₂₈H₃₅NO₄
• 分子量: 449.59
• CAS 登录号: 199396-76-4
• 分子行输入简码 SMILES: [C@@]34(C[C@@H](C2=C1C(=CC(=O)CC1)CC[C@H]2[C@@H]3CC[C@@]4(OC)COC)C5=CC=C(/C=N/O)C=C5)C
• 国际化学标识码 InChI: 1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1
• 国际化学标识检索码 InChIKey: GJMNAFGEUJBOCE-MEQIQULJSA-N

物理化学性质

• 密度: 1.2±0.1g/cm³ （计算值）
• 沸点: 602.0±55.0°C at 760 mmHg （计算值）
• 闪点: 317.9±31.5°C （计算值）