白利辛霉素
[CAS# 57760-36-8]

基本信息

• 产品名称: 白利辛霉素
• 英文名: Alborixin
• 别名: (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-Hydroxy-Methyl]-6-Hydroxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Methyl]-6-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-Butyl]-3,5-Dimethyl-Tetrahydropyran-2-Yl]Propanoic Acid; (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-Hydroxy-5-Methyl-2-Tetrahydropyranyl]-2-Hydroxy-3,5-Dimethyl-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-Hydroxymethyl]-6-Hydroxy-3,5-Dimethyl-2-Tetrahydropyranyl]Methyl]-6-Hydroxy-5-Methyl-2-Tetrahydropyranyl]-2-Hydroxybutyl]-3,5-Dimethyl-2-Tetrahydropyranyl]Propanoic Acid; (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-Hydroxy-Methyl]-6-Hydroxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Methyl]-6-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]-2-Hydroxy-Butyl]-3,5-Dimethyl-Tetrahydropyran-2-Yl]Propionic Acid
• 分子式: C₄₈H₈₄O₁₄
• 分子量: 885.18
• CAS 登录号: 57760-36-8
• 分子行输入简码 SMILES: [C@@]3(O[C@H](C[C@]2(O[C@@H]([C@H]([C@@H](C[C@@H]1O[C@H]([C@H](C(=O)O)C)[C@H](C[C@H]1C)C)O)C)CC[C@@H]2C)O)[C@H](C[C@H]3C)C)([C@@H]([C@H]6O[C@]([C@@]5(O[C@]([C@@H]4O[C@H]([C@@](CC4)(O)C)CC)(C[C@H]5C)C)O)(CC6)C)O)O
• 国际化学标识码 InChI: 1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,43-,44+,45+,46-,47-,48-/m1/s1
• 国际化学标识检索码 InChIKey: WWDHGOLBPBWCNJ-GXXSWWTOSA-N

物理化学性质

• 密度: 1.2±0.1g/cm³ （计算值）
• 沸点: 929.8±65.0°C at 760 mmHg （计算值）
• 闪点: 259.8±27.8°C （计算值）