(5beta)-3beta-[(2,6-二脱氧-beta-D-核-己糖吡喃糖苷)氧基]-14-羟基心甾-20(22)-烯内酯
[CAS# 18404-43-8]

基本信息

• 产品名称: (5beta)-3beta-[(2,6-二脱氧-beta-D-核-己糖吡喃糖苷)氧基]-14-羟基心甾-20(22)-烯内酯
• 英文名: (5beta)-3beta-[(2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl)Oxy]-14-Hydroxycard-20(22)-Enolide
• 别名: 4-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3R,5R,10S,13R,14S,17R)-3-[[(2R,5S)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• 分子式: C₂₉H₄₄O₇
• 分子量: 504.66
• CAS 登录号: 18404-43-8
• EINECS 登录号: 242-284-0
• 分子行输入简码 SMILES: [C@@]45(O)C1C([C@@]3([C@H](CC1)C[C@H](O[C@@H]2OC([C@@H](O)C(O)C2)C)CC3)C)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• 国际化学标识码 InChI: 1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16?,18-,19-,20-,21?,22?,23?,25+,26-,27+,28-,29+/m1/s1
• 国际化学标识检索码 InChIKey: NQOMDNMTNVQXRR-KJZTWIESSA-N

物理化学性质

• 密度: 1.271g/cm³ （计算值）
• 沸点: 673.26°C at 760 mmHg （计算值）
• 闪点: 218.475°C （计算值）