(6R)-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]庚醛
[CAS# 3836-01-9]

基本信息

• 产品名称: (6R)-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]庚醛
• 英文名: (6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptanal
• 别名: (6R)-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Enanthaldehyde; (3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxycholestan-26-Al; 3,7,12-Trihydroxycholestan-26-Al
• 分子式: C₂₇H₄₆O₄
• 分子量: 434.66
• CAS 登录号: 3836-01-9
• 分子行输入简码 SMILES: [C@@H]4([C@@H](CCCC(C=O)C)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1C[C@@H](CC[C@@]1([C@H]2C[C@@H]3O)C)O)O)CC4)C
• 国际化学标识码 InChI: 1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: USFJGINJGUIFSY-XZULNKEGSA-N

物理化学性质

• 密度: 1.094g/cm³ （计算值）
• 沸点: 568.552°C at 760 mmHg （计算值）
• 闪点: 311.698°C （计算值）