4-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-二羟基-6-甲基四氢吡喃-2-基]氧基-4-羟基-6-甲基四氢吡喃-2-基]氧基-4-羟基-6-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# 1339-93-1]

基本信息

• 产品名称: 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-二羟基-6-甲基四氢吡喃-2-基]氧基-4-羟基-6-甲基四氢吡喃-2-基]氧基-4-羟基-6-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,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-4-Hydroxy-6-Methyloxan-2-Yl]Oxy-4-Hydroxy-6-Methyloxan-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,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-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-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-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-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-Hydroxy-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: C₄₁H₆₄O₁₃
• 分子量: 764.95
• CAS 登录号: 1339-93-1
• 分子行输入简码 SMILES: [C@]67([C@H]1[C@@H]([C@@]2([C@H](CC1)C[C@H](CC2)O[C@H]3C[C@@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O)O)O)O)C)CC[C@@]6([C@@H](CC7)C8=CC(OC8)=O)C)O
• 国际化学标识码 InChI: 1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26+,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
• 国际化学标识检索码 InChIKey: WDJUZGPOPHTGOT-ADSZZZNASA-N

物理化学性质

• 密度: 1.331g/cm³ （计算值）
• 沸点: 902.258°C at 760 mmHg （计算值）
• 闪点: 269.545°C （计算值）