CAS: 858360-61-9; (1R,3Ar,4As,6As,8S,10As,10Bs,11S,12S,12As)-1-Acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-10A,12A-Dimethyltetradecahydro-1H-Cyclopenta[1,2]Phenanthro[1,10A-B]Oxirene-11,12-Diyl Diacetate

• 英文名称(1R,3Ar,4As,6As,8S,10As,10Bs,11S,12S,12As)-1-Acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-10A,12A-Dimethyltetradecahydro-1H-Cyclopenta[1,2]Phenanthro[1,10A-B]Oxirene-11,12-Diyl Diacetate
• IUPAC名称(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate
• 其它别名Marsdenoside F; Pregnan-20-One, 11,12-Bis(Acetyloxy)-3-[[2,6-Dideoxy-4-O-(6-Deoxy-3-O-Methyl-β-D-Allopyranosyl)-3-O-Methyl-β-D-Arabino-Hexopyranosyl]Oxy]-8,14-Epoxy-, (3β,5α,11α,12β,14β,17α)-
• CAS编号858360-61-9
• MFCD编号:MFCD22417283
• 分子式:C39H60O14分子量:752.9
• 产品CID: 1857436
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• InChIKey: BLRABBHSPXPECV-IYNXUUSNSA-N
• BLRABBHSPXPECV-SXUHYKIFNA-N
• 计算化学: 氢键受体数14.0氢键供体数2.0可旋转键数11.0

物理性质

• 熔点224-226 °C
• 沸点795.5±60.0 °C(预测)
• 闪点235.0±26.4 °C
• 密度1.29±0.1 g/cm3(预测)
• pKa:12.89±0.70(预测)
• PSA:178.04
• LogP:2.9948

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

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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