CAS: 128988-55-6; 3,5-Dihydroxy-8-(3-Hydroxy-3-Methylbutyl)-2-(4-Methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One

• 英文名称3,5-Dihydroxy-8-(3-Hydroxy-3-Methylbutyl)-2-(4-Methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One
• 中文名称茂藿苷 A
• IUPAC名称3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
• 其它别名Icariside I Hydrate; Maohuoside A; Pletypetaloside; 4H-1-Benzopyran-4-One, 7-(β-D-Glucopyranosyloxy)-3,5-Dihydroxy-8-(3-Hydroxy-3-Methylbutyl)-2-(4-Methoxyphenyl)-; 3,5-Dihydroxy-8-(3-Hydroxy-3-Methylbutyl)-2-(4-Methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-4H-Chromen-4-One; Orally,Mapk,Osteogenesis,Maohuoside A,Inhibit,Transforming Growth Factor Beta Receptors,Natural,Tgf-β Receptor,Herb,Inhibitor,Bmp; Maohuoside A, 10 Mm In Dmso
• CAS编号128988-55-6
• MFCD编号:MFCD31697553
• 分子式:C27H32O12分子量:548.54
• 产品CID: 451738
• 产品分类天然产物 → 黄酮类化合物

• 相似结构搜索
• InChIKey: KKZRHUJZVYWXFJ-RGLOOMPQSA-N
• InChI=1S/C27H32O12/c1-27(2,35)9-8-14-16(37-26-23(34)21(32)19(30)17(11-28)38-26)10-15(29)18-20(31)22(33)24(39-25(14)18)12-4-6-13(36-3)7-5-12/h4-7,10,17,19,21,23,26,28-30,3
• 计算化学: 氢键受体数12.0氢键供体数7.0可旋转键数8.0

物理性质

• 熔点222-224 °C
• 沸点838.2±65.0 °C at 760 mmHg
• 闪点278.8±27.8 °C
• 密度1.5±0.1 g/cm3
• pKa:6.16±0.40(预测)
• PSA:199.51
• LogP:0.86
• 折射率1.665
• 蒸汽压0.0±3.2 mmHg at 25°C
• 外观形态黄色粉末
• 储存条件2-8°C，干燥环境，密闭，避光

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 危险品标志Xi
• 安全声明H303+H313+H333

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管