高油菜素甾酮
[CAS# 83509-42-6]

基本信息

• 产品名称: 高油菜素甾酮
• 英文名: Homocastasterone
• 别名: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-Ethyl-2,3-Dihydroxy-1,5-Dimethyl-Hexyl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One; (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-Ethyl-2,3-Dihydroxy-1,5-Dimethylhexyl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One; (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-Ethyl-3,4-Dihydroxy-6-Methyl-Heptan-2-Yl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One
• 分子式: C₂₉H₅₀O₅
• 分子量: 478.71
• CAS 登录号: 83509-42-6
• 分子行输入简码 SMILES: [C@H]4(O)[C@H](C[C@H]3[C@@]([C@@H]2[C@H]([C@H]1[C@@]([C@H](CC1)[C@@H]([C@@H](O)[C@H](O)[C@H](C(C)C)CC)C)(CC2)C)CC3=O)(C4)C)O
• 国际化学标识码 InChI: 1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,24-,25+,26+,27+,28+,29+/m0/s1
• 国际化学标识检索码 InChIKey: WADMTJKRYLAHQV-NKOPCKDMSA-N

物理化学性质

• 密度: 1.116g/cm³ （计算值）
• 沸点: 608.806°C at 760 mmHg （计算值）
• 闪点: 336.016°C （计算值）