1-((3-beta,20-beta)-3-(((S)-6-脱氧-2-O-((S)-6-脱氧-6-(2-(甲氧羰基)-1-吡咯烷基)-6-氧代-beta-D-吡喃葡萄糖基)-6-(2-(甲氧羰基)-1-吡咯烷基)-6-氧代-alpha-D-吡喃葡萄糖基)氧基)-11,29-二氧代齐墩果-12-烯-29-基)-L-脯氨酸甲酯
[CAS# 171259-64-6]

基本信息

• 产品名称: 1-((3-beta,20-beta)-3-(((S)-6-脱氧-2-O-((S)-6-脱氧-6-(2-(甲氧羰基)-1-吡咯烷基)-6-氧代-beta-D-吡喃葡萄糖基)-6-(2-(甲氧羰基)-1-吡咯烷基)-6-氧代-alpha-D-吡喃葡萄糖基)氧基)-11,29-二氧代齐墩果-12-烯-29-基)-L-脯氨酸甲酯
• 英文名: 1-((3-beta,20-beta)-3-(((S)-6-deoxy-2-O-((S)-6-deoxy-6-(2-(methoxycarbonyl)-1-pyrrolidinyl)-6-oxo-beta-D-glucopyranosyl)-6-(2-(methoxycarbonyl)-1-pyrrolidinyl)-6-oxo-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-L-Proline methyl ester
• 别名: Methyl (2S)-1-[(2S,4As,6Ar,6As,6Br,8Ar,10S,12As,14Br)-10-[(2S,3R,4S,5S,6S)-4,5-Dihydroxy-6-[(2S)-2-Methoxycarbonylpyrrolidine-1-Carbonyl]-3-[(2R,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[(2S)-2-Methoxycarbonylpyrrolidine-1-Carbonyl]Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carbonyl]Pyrrolidine-2-Carboxylate; (2S)-1-[[(2S,4As,6Ar,6As,6Br,8Ar,10S,12As,14Br)-10-[[(2S,3R,4S,5S,6S)-4,5-Dihydroxy-6-[[(2S)-2-Methoxycarbonyl-1-Pyrrolidinyl]-Oxomethyl]-3-[[(2R,3R,4S,5S,6S)-3,4,5-Trihydroxy-6-[[(2S)-2-Methoxycarbonyl-1-Pyrrolidinyl]-Oxomethyl]-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2,4A,6A,6B,9,9,12A-Heptamethyl-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picen-2-Yl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid Methyl Ester; (2S)-1-[(2S,4As,6Ar,6As,6Br,8Ar,10S,12As,14Br)-10-[(2S,3R,4S,5S,6S)-6-[(2S)-2-Carbomethoxypyrrolidine-1-Carbonyl]-3-[(2R,3R,4S,5S,6S)-6-[(2S)-2-Carbomethoxypyrrolidine-1-Carbonyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-13-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carbonyl]Pyrrolidine-2-Carboxylic Acid Methyl Ester
• 分子式: C₆₀H₈₉N₃O₁₉
• 分子量: 1156.37
• CAS 登录号: 171259-64-6
• 分子行输入简码 SMILES: [C@@H]15[C@]([C@]2(C(=CC1=O)[C@H]3[C@@](CC2)(CC[C@@](C3)(C(=O)N4[C@@H](CCC4)C(OC)=O)C)C)C)(CC[C@@H]%10[C@@]5(CC[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)N8[C@@H](CCC8)C(OC)=O)C(=O)N9[C@@H](CCC9)C(OC)=O)C%10(C)C)C)C
• 国际化学标识码 InChI: 1S/C60H89N3O19/c1-55(2)36-17-20-60(7)46(35(64)28-30-31-29-57(4,22-21-56(31,3)23-24-59(30,60)6)54(75)63-27-13-16-34(63)51(74)78-10)58(36,5)19-18-37(55)79-53-45(41(68)40(67)44(81-53)48(71)62-26-12-15-33(62)50(73)77-9)82-52-42(69)38(65)39(66)43(80-52)47(70)61-25-11-14-32(61)49(72)76-8/h28,31-34,36-46,52-53,65-69H,11-27,29H2,1-10H3/t31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42+,43-,44-,45+,46+,52-,53-,56+,57-,58-,59+,60+/m0/s1
• 国际化学标识检索码 InChIKey: YTKUNMJJLLHRHL-BUPCEYEYSA-N

物理化学性质

• 密度: 1.378g/cm³ （计算值）