伊夫单甙
[CAS# 508-93-0]

基本信息

• 产品名称: 伊夫单甙
• 英文名: Evomonoside
• 别名: 4-[(3S,5R,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5R,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• 分子式: C₂₉H₄₄O₈
• 分子量: 520.66
• CAS 登录号: 508-93-0
• EINECS 登录号: 208-088-4
• 分子行输入简码 SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@H](CC1)C[C@@H](O[C@H]2OC([C@@H](O)C(O)C2O)C)CC3)C)CC4)CC[C@@H]5C6=CC(OC6)=O)C
• 国际化学标识码 InChI: 1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15?,17-,18+,19-,20?,21?,23-,24?,25?,26-,27+,28-,29+/m1/s1
• 国际化学标识检索码 InChIKey: WQMLFJWIKARBFW-IRVRIFDVSA-N

物理化学性质

• 密度: 1.319g/cm³ （计算值）
• 沸点: 694.592°C at 760 mmHg （计算值）
• 闪点: 225.396°C （计算值）