[(3S,8R,9S,10R,13S,14S,17R)-17-乙酰基-6-氯-3-羟基-10,13-二甲基-1,2,3,8,9,11,12,14,15,16-十氢环戊烯并[a]菲-17-基]乙酸酯
[CAS# 3114-44-1]

基本信息

• 产品名称: [(3S,8R,9S,10R,13S,14S,17R)-17-乙酰基-6-氯-3-羟基-10,13-二甲基-1,2,3,8,9,11,12,14,15,16-十氢环戊烯并[a]菲-17-基]乙酸酯
• 英文名: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Hydroxy-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• 别名: Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Hydroxy-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,8R,9S,10R,13S,14S,17R)-6-Chloro-17-Ethanoyl-3-Hydroxy-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate; Pregna-4,6-Dien-20-One, 17-(Acetyloxy)-6-Chloro-3-Hydroxy-, (3Beta)-
• 分子式: C₂₃H₃₁ClO₄
• 分子量: 406.95
• CAS 登录号: 3114-44-1
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=C[C@@H](O)CC1)C(=C2)Cl)C)CC[C@@]3([C@](OC(=O)C)(CC4)C(=O)C)C
• 国际化学标识码 InChI: 1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,15-18,27H,5-10H2,1-4H3/t15-,16+,17-,18-,21+,22-,23-/m0/s1
• 国际化学标识检索码 InChIKey: QQEHDZXXCDSAFE-JBSAMAPISA-N

物理化学性质

• 密度: 1.235g/cm³ （计算值）
• 沸点: 525.949°C at 760 mmHg （计算值）
• 闪点: 271.884°C （计算值）