CAS: 98665-65-7; 3-((5-((5-((3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,15,16,17-Tetradecahydro-14H-Cyclopenta[a]Phenanthrene-11,12,14-Triol

• 英文名称3-((5-((5-((3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,15,16,17-Tetradecahydro-14H-Cyclopenta[a]Phenanthrene-11,12,14-Triol
• 中文名称苦绳甙 D
• IUPAC名称3-((5-((5-((3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,15,16,17-tetradecahydro-14H-cyclopenta[a]phenanthrene-11,12,14-triol
• 其它别名Dregeoside Da1; Dregeoside D; Dregoside Da1; Pregn-5-Ene-11,12,14,20-Tetrol, 3-[(O-6-Deoxy-3-O-Methyl-β-D-Allopyranosyl-(1→4)-O-2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl-(1→4)-2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl)Oxy]-, (3β,11α,12β,14β)-
• CAS编号98665-65-7
• MFCD编号:MFCD26131262
• 分子式:C42H70O15分子量:815.01
• 产品CID: 2027504
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ITPJPPQJMRCTTO-UHFFFAOYSA-N
• InChI=1S/C42H70O15/c1-19(43)25-13-15-42(48)26-11-10-23-16-24(12-14-40(23,5)31(26)33(45)38(47)41(25,42)6)55-29-17-27(49-7)35(21(3)52-29)56-30-18-28(50-8)36(22(4)53-30)57-3
• 计算化学: 氢键受体数15.0氢键供体数6.0可旋转键数10.0

物理性质

• 沸点870.5±65.0 °C at 760 mmHg
• 闪点480.2±34.3 °C
• 密度1.3±0.1 g/cm3
• pKa:12.89±0.70(预测)
• PSA:204.45
• LogP:3.38
• 折射率1.576
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态粉末
• 储存条件2-8°C

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
• 危险品标志Xi
• 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
  2905143000-叔丁醇
• 💡 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