CAS: 23532-11-8; (2S,3R,4S,5S,6R)-2-(((1Ar,1A1S,2R,3Ar,5S,5Ar)-2-Hydroxy-1A1-(Hydroxymethyl)-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-5A(5H)-yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol

• 英文名称(2S,3R,4S,5S,6R)-2-(((1Ar,1A1S,2R,3Ar,5S,5Ar)-2-Hydroxy-1A1-(Hydroxymethyl)-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-5A(5H)-yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol
• 中文名称8-O-去苯甲酰基芍药甙
• IUPAC名称(2S,3R,4S,5S,6R)-2-(((1aR,1a1S,2R,3aR,5S,5aR)-2-hydroxy-1a1-(hydroxymethyl)-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
• 其它别名8-Debenzoylpaeoniflorin; 8-O-Debenzoylpaeoniflorin; Desbenzoylpaeoniflorin; β-D-Glucopyranoside, (1Ar,2S,3Ar,5R,5Ar,5Bs)-Tetrahydro-5-Hydroxy-5B-(Hydroxymethyl)-2-Methyl-2,5-Methano-1H-3,4-Dioxacyclobuta[cd]Pentalen-1A(2H)-Yl; 8-O-Debenzoylpaeonif
• CAS编号23532-11-8
• MFCD编号:MFCD31746808
• 分子式:C16H24O10分子量:376.36
• 产品CID: 1177414
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: LTXNSYGCFNCQRW-DKCIEBLWSA-N
• InChI=1S/C16H24O10/c1-13-4-15(22)7-2-16(13,14(7,5-18)12(25-13)26-15)24-11-10(21)9(20)8(19)6(3-17)23-11/h6-12,17-22H,2-5H2,1H3/t6-,7-,8-,9+,10-,11+,12-,13+,14+,15-,16+/m1/
• 计算化学: 氢键受体数10.0氢键供体数6.0可旋转键数4.0

物理性质

• 沸点626.9±55.0 °C at 760 mmHg
• 闪点332.9±31.5 °C
• 密度1.76±0.1 g/cm3 (20 ºC 760 Torr),
• LogP:-3.3

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation 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