5-[(3S,10R,12R,13S,14S,17R)-12,14-二羟基-10,13-二甲基-3-[(2S,5S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基-1,2,3,6,7,8,9,11,12,15,16,17-十二氢环戊烯并[a]菲-17-基]吡喃-2-酮
[CAS# 21256-71-3]

基本信息

• 产品名称: 5-[(3S,10R,12R,13S,14S,17R)-12,14-二羟基-10,13-二甲基-3-[(2S,5S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基-1,2,3,6,7,8,9,11,12,15,16,17-十二氢环戊烯并[a]菲-17-基]吡喃-2-酮
• 英文名: 5-[(3S,10R,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-Dimethyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Pyran-2-One
• 别名: 5-[(3S,10R,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-Dimethyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Pyran-2-One; 5-[(3S,10R,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-Dimethyl-3-[[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Pyranone; 5-[(3S,10R,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-Dimethyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Pyran-2-One
• 分子式: C₃₀H₄₂O₉
• 分子量: 546.66
• CAS 登录号: 21256-71-3
• 分子行输入简码 SMILES: [C@]45([C@@](O)(C3C([C@@]2(C(=C[C@@H](O[C@H]1OC([C@@H](O)C(O)C1O)C)CC2)CC3)C)C[C@H]4O)CC[C@@H]5C6=COC(=O)C=C6)C
• 国际化学标识码 InChI: 1S/C30H42O9/c1-15-24(33)25(34)26(35)27(38-15)39-18-8-10-28(2)17(12-18)5-6-20-21(28)13-22(31)29(3)19(9-11-30(20,29)36)16-4-7-23(32)37-14-16/h4,7,12,14-15,18-22,24-27,31,33-36H,5-6,8-11,13H2,1-3H3/t15?,18-,19+,20?,21?,22+,24+,25?,26?,27+,28-,29-,30-/m0/s1
• 国际化学标识检索码 InChIKey: ZBAPFMPUNXTWQQ-ZSBSFZBSSA-N

物理化学性质

• 密度: 1.385g/cm³ （计算值）
• 沸点: 752.077°C at 760 mmHg （计算值）
• 闪点: 244.466°C （计算值）