埃克甾酮 B
[CAS# 18069-14-2]

基本信息

• 产品名称: 埃克甾酮 B
• 英文名: Polypodine B
• 别名: (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethyl-Hexyl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One; (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethylhexyl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One; (2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(2R,3R)-2,3,6-Trihydroxy-6-Methyl-Heptan-2-Yl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One
• 分子式: C₂₇H₄₄O₈
• 分子量: 496.64
• CAS 登录号: 18069-14-2
• 分子行输入简码 SMILES: [C@]23(O)C1=CC([C@]4([C@]([C@H]1CC[C@]2(C)[C@H](CC3)[C@@]([C@@H](CCC(C)(C)O)O)(C)O)(C)C[C@@H]([C@@H](C4)O)O)O)=O
• 国际化学标识码 InChI: 1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1
• 国际化学标识检索码 InChIKey: GMFLGNRCCFYOKL-ACCCYTKYSA-N

物理化学性质

• 密度: 1.334g/cm³ （计算值）
• 沸点: 732.662°C at 760 mmHg （计算值）
• 闪点: 410.839°C （计算值）