依他雌醇
[CAS# 73764-72-4]

基本信息

• 产品名称: 依他雌醇
• 英文名: etamestrol
• 别名: Benzoic Acid [(7R,8S,9S,13S,14S,17R)-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-3-(Oxo-Phenylmethoxy)-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-1-Yl] Ester; Benzoic Acid [(7R,8S,9S,13S,14S,17R)-3-(Benzoyloxy)-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-1-Yl] Ester; [(7R,8S,9S,13S,14S,17R)-17-Ethynyl-17-Hydroxy-7,13-Dimethyl-3-Phenylcarbonyloxy-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-1-Yl] Benzoate
• 分子式: C₃₅H₃₄O₅
• 分子量: 534.65
• CAS 登录号: 73764-72-4
• 分子行输入简码 SMILES: [C@@H]23[C@H]([C@H]1[C@]([C@@](C#C)(O)CC1)(C)CC2)[C@@H](CC4=C3C(=CC(=C4)OC(C5=CC=CC=C5)=O)OC(C6=CC=CC=C6)=O)C
• 国际化学标识码 InChI: 1S/C35H34O5/c1-4-35(38)18-16-28-30-22(2)19-25-20-26(39-32(36)23-11-7-5-8-12-23)21-29(31(25)27(30)15-17-34(28,35)3)40-33(37)24-13-9-6-10-14-24/h1,5-14,20-22,27-28,30,38H,15-19H2,2-3H3/t22-,27+,28+,30-,34+,35+/m1/s1
• 国际化学标识检索码 InChIKey: FMEKKTLRKMEQKJ-RCJJHWPHSA-N