(1alpha,2beta,4Aalpha,4Bbeta,10beta)-2,7-二羟基-1-甲基-8-亚甲基赤霉素烷-1,4A,10-三羧酸
[CAS# 32780-05-5]

基本信息

• 产品名称: (1alpha,2beta,4Aalpha,4Bbeta,10beta)-2,7-二羟基-1-甲基-8-亚甲基赤霉素烷-1,4A,10-三羧酸
• 英文名: (1alpha,2beta,4Aalpha,4Bbeta,10beta)-2,7-Dihydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
• 别名: (1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; (1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; 2β,7α-dihydroxy-1β-methyl-8-methylidene-4aα,4bβ-; (1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; 2β,7α-dihydroxy-1β-methyl-8-methylidene-4aα,4bβ-gibbane-1α,4a,10β-tricarboxylic acid
• 分子式: C₂₀H₂₆O₈
• 分子量: 394.42
• CAS 登录号: 32780-05-5
• 分子行输入简码 SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]3(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@]24C[C@](O)(C(=C)\C2)CC[C@@H]34)C
• 国际化学标识码 InChI: 1S/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13-,17-,18+,19+,20-/m1/s1
• 国际化学标识检索码 InChIKey: YPZCOEDTKIYBEB-ZVBXRXONSA-N

物理化学性质

• 密度: 1.523g/cm³ （计算值）
• 沸点: 584.961°C at 760 mmHg （计算值）
• 闪点: 321.611°C （计算值）