4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-二甲基-3-[(2R,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]-5H-呋喃-2-酮
[CAS# 102492-19-3]

基本信息

• 产品名称: 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-二甲基-3-[(2R,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]-5H-呋喃-2-酮
• 英文名: 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-Dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
• 别名: 4-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• 分子式: C₂₉H₄₄O₈
• 分子量: 520.66
• CAS 登录号: 102492-19-3
• 分子行输入简码 SMILES: [C@H]14[C@@H]([C@@]3([C@H](CC1)C[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CC3)C)CC[C@]5([C@H]4CC[C@@H]5C6=CC(OC6)=O)C
• 国际化学标识码 InChI: 1S/C29H44O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h11,16-22,24-27,30,32-34H,3-10,12-14H2,1-2H3/t16-,17+,18+,19-,20+,21+,22-,24-,25+,26-,27-,28+,29-/m1/s1
• 国际化学标识检索码 InChIKey: ZHVOBYWXERUHMN-KVJKMEBSSA-N

物理化学性质

• 密度: 1.318g/cm³ （计算值）
• 沸点: 705.337°C at 760 mmHg （计算值）
• 闪点: 229.397°C （计算值）