4-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-二羟基-4-甲氧基-6-[[(2R,5S)-2,4,5-三羟基-6-甲基四氢吡喃-3-基]氧基甲基]四氢吡喃-2-基]氧基-14-羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊烯并[a]菲-17-基]-5H-呋喃-2-酮
[CAS# 33279-55-9]

基本信息

• 产品名称: 4-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-二羟基-4-甲氧基-6-[[(2R,5S)-2,4,5-三羟基-6-甲基四氢吡喃-3-基]氧基甲基]四氢吡喃-2-基]氧基-14-羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊烯并[a]菲-17-基]-5H-呋喃-2-酮
• 英文名: 4-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-[[(2R,5S)-2,4,5-Trihydroxy-6-Methyloxan-3-Yl]Oxymethyl]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
• 别名: 4-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-[[(2R,5S)-2,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-3-Yl]Oxymethyl]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-[(3S,5R,10S,13R,14S,17R)-3-[[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-[[(2R,5S)-2,4,5-Trihydroxy-6-Methyl-3-Tetrahydropyranyl]Oxymethyl]-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-[(3S,5R,10S,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-[[(2R,5S)-2,4,5-Trihydroxy-6-Methyl-Oxan-3-Yl]Oxymethyl]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: C₃₆H₅₆O₁₃
• 分子量: 696.83
• CAS 登录号: 33279-55-9
• 分子行输入简码 SMILES: [C@]56([C@@](O)(C1C([C@@]4([C@H](CC1)C[C@@H](O[C@H]2OC([C@@H](O)C(OC)C2O)COC3C(O)[C@H](O)C(O[C@H]3O)C)CC4)C)CC5)CC[C@@H]6C7=CC(OC7)=O)C
• 国际化学标识码 InChI: 1S/C36H56O13/c1-17-26(38)28(40)31(32(42)47-17)46-16-24-27(39)30(44-4)29(41)33(49-24)48-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(37)45-15-18/h13,17,19-24,26-33,38-43H,5-12,14-16H2,1-4H3/t17?,19-,20+,21-,22?,23?,24?,26-,27-,28?,29?,30?,31?,32-,33+,34+,35-,36+/m1/s1
• 国际化学标识检索码 InChIKey: RHERCAMWDSQFOH-QBAHGVQYSA-N

物理化学性质

• 密度: 1.384g/cm³ （计算值）
• 沸点: 882.86°C at 760 mmHg （计算值）
• 闪点: 272.341°C （计算值）