[(3S,8R,9S,10R,13S,14S,17R)-17-乙酰基-6-氯-10,13-二甲基-3-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-1,2,3,8,9,11,12,14,15,16-十氢环戊烯并[a]菲-17-基]乙酸酯
[CAS# 113547-99-2]

基本信息

• 产品名称: [(3S,8R,9S,10R,13S,14S,17R)-17-乙酰基-6-氯-10,13-二甲基-3-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-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-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• 别名: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• 分子式: C₂₉H₄₁ClO₉
• 分子量: 569.09
• CAS 登录号: 113547-99-2
• 分子行输入简码 SMILES: [C@H]45[C@H]3[C@@H]([C@@]2(C(=C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CC2)C(=C3)Cl)C)CC[C@@]4([C@](OC(=O)C)(CC5)C(=O)C)C
• 国际化学标识码 InChI: 1S/C29H41ClO9/c1-14(32)29(39-15(2)33)10-7-19-17-12-21(30)20-11-16(5-8-27(20,3)18(17)6-9-28(19,29)4)37-26-25(36)24(35)23(34)22(13-31)38-26/h11-12,16-19,22-26,31,34-36H,5-10,13H2,1-4H3/t16-,17+,18-,19-,22+,23+,24-,25+,26+,27+,28-,29-/m0/s1
• 国际化学标识检索码 InChIKey: FYXRJCKQDXHCLY-NGBQXFLDSA-N

物理化学性质

• 密度: 1.374g/cm³ （计算值）
• 沸点: 710.761°C at 760 mmHg （计算值）
• 闪点: 383.654°C （计算值）