环戊丙酸雌二醇
[CAS# 71615-27-5]

基本信息

• 产品名称: 环戊丙酸雌二醇
• 英文名: Cycloprovera
• 别名: Acetic Acid [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-Trimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 3-Cyclopentylpropanoic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Keto-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 3-Cyclopentylpropionic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(6S,8R,9S,10R,13S,14S,17R)-17-Ethanoyl-6,10,13-Trimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate; [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] 3-Cyclopentylpropanoate
• 分子式: C₅₀H₇₀O₇
• 分子量: 783.10
• CAS 登录号: 71615-27-5
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)C)C)CC[C@@]3([C@](OC(=O)C)(CC4)C(=O)C)C.[C@H]79[C@H]5[C@@H](C6=C(CC5)C=C(O)C=C6)CC[C@@]7([C@@H](OC(=O)CCC8CCCC8)CC9)C
• 国际化学标识码 InChI: 1S/C26H36O3.C24H34O4/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17;1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3;13-14,18-20H,6-12H2,1-5H3/t21-,22-,23+,24+,26+;14-,18+,19-,20-,22+,23-,24-/m10/s1
• 国际化学标识检索码 InChIKey: NEDJKVIUOSOCNB-AWPSVMBFSA-N

物理化学性质

• 沸点: 532.8°C at 760 mmHg （计算值）
• 闪点: 207.7°C （计算值）