Card-Cosaldon
[CAS# 61216-25-9]

基本信息

• 产品名称: Card-Cosaldon
• 英文名: Card-Cosaldon
• 别名: 4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,6S)-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-12,14-Dihydroxy-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; 1-Hexyl-3,7-Dimethyl-Purine-2,6-Dione; Nicotinic Acid; 4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,6S)-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]-12,14-Dihydroxy-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; 1-Hexyl-3,7-Dimethylpurine-2,6-Dione; Nicotinic Acid
• 分子式: C₆₀H₈₉N₅O₁₈
• 分子量: 1168.39
• CAS 登录号: 61216-25-9
• 分子行输入简码 SMILES: [C@H]16[C@@H]([C@@]5([C@H](CC1)C[C@@H](O[C@@H]4O[C@H](C(O[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H](O)C2)C)[C@@H](O)C3)C)[C@@H](O)C4)C)CC5)C)C[C@@H](O)[C@]7([C@]6(O)CC[C@@H]7C8=CC(OC8)=O)C.C9=NC%10=C([N]9C)C(=O)N(C(=O)N%10C)CCCCCC.C%11=NC=CC=C%11C(=O)O
• 国际化学标识码 InChI: 1S/C41H64O14.C13H20N4O2.C6H5NO2/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22;1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19;8-6(9)5-2-1-3-7-4-5/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3;9H,4-8H2,1-3H3;1-4H,(H,8,9)/t19-,20+,21-,23-,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: VYYLFVTZORMIES-WXTAWRDYSA-N

物理化学性质

• 沸点: 931.6°C at 760 mmHg （计算值）
• 闪点: 278.5°C （计算值）