(6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-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-环戊并[a]菲-17-基]-2-甲基庚醛
[CAS# 78801-18-0]

基本信息

• 产品名称: (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-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-环戊并[a]菲-17-基]-2-甲基庚醛
• 英文名: (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylheptanal
• 别名: (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptanal; (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Enanthaldehyde; 3-Hydroxycholestan-27-Al
• 分子式: C₂₇H₄₆O₂
• 分子量: 402.66
• CAS 登录号: 78801-18-0
• 分子行输入简码 SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@H]([C@@H](CCCC(C=O)C)C)[C@@]2(C)CC[C@H]34)C)O
• 国际化学标识码 InChI: 1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h17-25,29H,5-16H2,1-4H3/t18?,19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: KIVMAQXIDUADTM-RKOYIKFYSA-N

物理化学性质

• 密度: 0.998g/cm³ （计算值）
• 沸点: 503.078°C at 760 mmHg （计算值）
• 闪点: 213.109°C （计算值）