异胡豆苷
[CAS# 20824-29-7]

基本信息

• 产品名称: 异胡豆苷
• 英文名: Strictosidine
• 别名: Methyl (4S,5R,6S)-4-[[(1S)-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl]Methyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylate; (4S,5R,6S)-4-[[(1S)-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl]Methyl]-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid Methyl Ester; (4S,5R,6S)-4-[[(1S)-2,3,4,9-Tetrahydro-1H-$B-Carbolin-1-Yl]Methyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid Methyl Ester
• 分子式: C₂₇H₃₄N₂O₉
• 分子量: 530.57
• CAS 登录号: 20824-29-7
• 分子行输入简码 SMILES: [C@H]5(O[C@@H]1OC=C([C@H]([C@H]1C=C)C[C@H]4C3=C(C2=CC=CC=C2[NH]3)CCN4)C(=O)OC)[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O
• 国际化学标识码 InChI: 1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
• 国际化学标识检索码 InChIKey: XBAMJZTXGWPTRM-NTXHKPOFSA-N

物理化学性质

• 密度: 1.443g/cm³ （计算值）
• 沸点: 763.008°C at 760 mmHg （计算值）
• 闪点: 415.252°C （计算值）

参考文献

• (1): Stöckigt Joachim. Structural biology in plant natural product biosynthesis—architecture of enzymes from monoterpenoid indole and tropane alkaloid biosynthesis, Natural Product Reports, 2007