9,10-去表硫代-9,10-二去氢-35-甲基-棘皮海绵素
[CAS# 81720-10-7]

基本信息

• 产品名称: 9,10-去表硫代-9,10-二去氢-35-甲基-棘皮海绵素
• 英文名: 9,10-Deepithio-9,10-Didehydro-35-Methyl-Acanthifolicin
• 别名: 3-[2-[(E)-3-[2-[3-(3,11-Dimethyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)-1-Hydroxy-Butyl]-4-Hydroxy-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[6,5-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Hydroxy-2-Methyl-Propanoic Acid; 3-[2-[(E)-3-[2-[3-(3,11-Dimethyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)-1-Hydroxybutyl]-4-Hydroxy-3-Methylene-2'-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[6,5-E]Pyran-6,5'-Tetrahydrofuran]Yl]-1-Methylprop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Hydroxy-2-Methylpropanoic Acid; 3-[2-[(E)-3-[2-[3-(3,11-Dimethyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)-1-Hydroxy-Butyl]-4-Hydroxy-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[6,5-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Hydroxy-2-Methyl-Propionic Acid
• 分子式: C₄₅H₇₀O₁₃
• 分子量: 819.04
• CAS 登录号: 81720-10-7
• 分子行输入简码 SMILES: C(C(O)C5OC4C(OC1(OC(CC1)\C=C\C(C3OC2(OC(CCC2O)CC(O)(C(=O)O)C)C=C(C3)C)C)CC4)C(O)C5=C)C(C7OC6(OCCCC6C)CCC7C)C
• 国际化学标识码 InChI: 1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+
• 国际化学标识检索码 InChIKey: CLBIEZBAENPDFY-ZHACJKMWSA-N

物理化学性质

• 密度: 1.271g/cm³ （计算值）
• 沸点: 923.279°C at 760 mmHg （计算值）
• 闪点: 267.862°C （计算值）