平贝啶碱甙
[CAS# 125309-97-9]

基本信息

• 产品名称: 平贝啶碱甙
• 英文名: Pingbeidinoside
• 别名: (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1,2-Dihydroxy-Propyl]-2,4-Dimethyl-2-(3-Piperidyloxy)Tetrahydropyran-3,4,5-Triol; (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1,2-Dihydroxypropyl]-2,4-Dimethyl-2-(3-Piperidinyloxy)Tetrahydropyran-3,4,5-Triol; (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1,2-Dihydroxy-Propyl]-2,4-Dimethyl-2-Piperidin-3-Yloxy-Oxane-3,4,5-Triol
• 分子式: C₃₄H₅₇NO₉
• 分子量: 623.83
• CAS 登录号: 125309-97-9
• 分子行输入简码 SMILES: [C@]36([C@@H]([C@@](O)([C@H](O)[C@H]2O[C@@](OC1CNCCC1)([C@H](O)[C@](O)([C@@H]2O)C)C)C)[C@H](O)CC3C4C([C@@]5(C(=CC4)C[C@@H](O)CC5)C)CC6)C
• 国际化学标识码 InChI: 1S/C34H57NO9/c1-30-12-10-19(36)15-18(30)8-9-21-22(30)11-13-31(2)23(21)16-24(37)26(31)32(3,41)27(38)25-28(39)33(4,42)29(40)34(5,44-25)43-20-7-6-14-35-17-20/h8,19-29,35-42H,6-7,9-17H2,1-5H3/t19-,20?,21?,22?,23?,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+/m0/s1
• 国际化学标识检索码 InChIKey: VCIZZMPHUKHNMA-PQODKJQUSA-N

物理化学性质

• 密度: 1.319g/cm³ （计算值）
• 沸点: 786.72°C at 760 mmHg （计算值）
• 闪点: 429.593°C （计算值）