CAS: 849201-84-9; 9-((3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-2A,6B-Dimethyl-1,2A,2A1,5,6,6A,6B,7,8,9,10,12,12A,14A-Tetradecahydro-13H-2,3,14-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-A]Naphthalen-13-One

• 英文名称9-((3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-2A,6B-Dimethyl-1,2A,2A1,5,6,6A,6B,7,8,9,10,12,12A,14A-Tetradecahydro-13H-2,3,14-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-A]Naphthalen-13-One
• 中文名称芫花叶白前甙元 C O-β-D-吡喃黄夹竹桃糖苷
• IUPAC名称9-((3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2a,6b-dimethyl-1,2a,2a1,5,6,6a,6b,7,8,9,10,12,12a,14a-tetradecahydro-13H-2,3,14-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-13-one
• 其它别名Glaucogenin C Mono-D-Thevetoside; Glaucogenin C O-Beta-D-Thevetopyranoside; 6H-2,3,5-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-A]Naphthalen-6-One, 10-[(6-Deoxy-3-O-Methyl-β-D-Glucopyranosyl)Oxy]-2A,4,4A,6A,7,9,10,11,12,12A,12B,13,14,14B-Tetradecahydro-2A,12A-Dimethyl-, (2Ar,4As,6Ar,10S,12Ar,12Bs,14Br)-; Glaucogenin C 3-O-β-D-Thevetoside
• CAS编号849201-84-9
• MFCD编号:MFCD28100358
• 分子式:C28H40O9分子量:520.62
• 产品CID: 1840596
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• InChIKey: KBZJWPGSJWUHPT-UHFFFAOYSA-N
• InChI=1S/C28H40O9/c1-14-22(29)24(32-4)23(30)26(35-14)36-17-9-10-27(2)16(11-17)6-7-18-19(27)8-5-15-12-33-28(3)21(15)20(13-34-28)37-25(18)31/h6,12,14,17-24,26,29-30H,5,7-11
• 计算化学: 氢键受体数9.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点185-187°C
• 沸点717.1±60.0 °C(预测)
• 闪点236.1±0.0 °C
• 密度1.31±0.1 g/cm3(预测)
• pKa:12.91±0.70(预测)
• PSA:112.91
• LogP:1.5

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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