假白藜芦碱
[CAS# 36069-05-3]

基本信息

• 产品名称: 假白藜芦碱
• 英文名: Pseudojervine
• 别名: (3S,3'As,7'Ar,9R)-3',6',10,11B-Tetramethyl-3-[(2R,5S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Spiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]-11-One; (3S,3'As,7'Ar,9R)-3',6',10,11B-Tetramethyl-3-[[(2R,5S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-11-Spiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]One; (3S,3'As,7'Ar,9R)-3',6',10,11B-Tetramethyl-3-[(2R,5S)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Spiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]-11-One
• 分子式: C₃₃H₄₉NO₈
• 分子量: 587.75
• CAS 登录号: 36069-05-3
• 分子行输入简码 SMILES: [C@@]27(O[C@H]1[C@@H](NCC(C1)C)C2C)C(=C3C(C4C(C3=O)C6(C(=CC4)C[C@@H](O[C@@H]5OC([C@@H](O)C(O)C5O)CO)CC6)C)CC7)C
• 国际化学标识码 InChI: 1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17?,19-,20?,21?,22+,23?,25?,26-,27+,29?,30?,31+,32?,33-/m0/s1
• 国际化学标识检索码 InChIKey: HYDDDNUKNMMWBD-WJWSUNTISA-N

物理化学性质

• 密度: 1.329g/cm³ （计算值）
• 沸点: 766.209°C at 760 mmHg （计算值）
• 闪点: 417.188°C （计算值）