CAS: 849699-55-4; Methyl 5-Hydroxy-2-((2R,3Ar,4R)-7-Hydroxy-4-(2-Hydroxypropan-2-yl)-2-Methyl-6-Oxo-2,3,3A,6-Tetrahydro-4H-Benzo[h]Pyrano[3,4,5-De]Chromen-2-yl)Naphtho[1,2-B]Furan-4-Carboxylate

• 英文名称Methyl 5-Hydroxy-2-((2R,3Ar,4R)-7-Hydroxy-4-(2-Hydroxypropan-2-yl)-2-Methyl-6-Oxo-2,3,3A,6-Tetrahydro-4H-Benzo[h]Pyrano[3,4,5-De]Chromen-2-yl)Naphtho[1,2-B]Furan-4-Carboxylate
• 中文名称甲基5-羟基-2-((2R,3AR,4R)-7-羟基-4-(2-羟基丙-2-基)-2-甲基-6-氧代-2,3,3A,6-四氢-4H-苯甲酸[H]吡喃O[3,4,5-DE]色烯-2-基)萘并[1,2-B]呋喃-4-羧酸甲酯
• IUPAC名称methyl 5-hydroxy-2-((2R,3aR,4R)-7-hydroxy-4-(2-hydroxypropan-2-yl)-2-methyl-6-oxo-2,3,3a,6-tetrahydro-4H-benzo[h]pyrano[3,4,5-de]chromen-2-yl)naphtho[1,2-b]furan-4-carboxylate
• 其它别名Rubicordifolin; Naphtho[1,2-B]Furan-4-Carboxylic Acid, 5-Hydroxy-2-[(2R,3Ar,4R)-2,3,3A,6-Tetrahydro-7-Hydroxy-4-(1-Hydroxy-1-Methylethyl)-2-Methyl-6-Oxo-4H-Benzo[h]Pyrano[3,4,5-De]-1-Benzopyran-2-Yl]-, Methyl Ester, Rel- (9Ci)
• CAS编号849699-55-4
• MFCD编号:MFCD28100701
• FDA UNII编号:ZCR8BY5KW4
• 分子式:C33H28O9分子量:568.58
• 产品CID: 1841556
• 产品分类天然产物 → 酚类天然产物

• 相似结构搜索
• InChIKey: ZDZRMYBQJYWXBR-CXUYDDCUSA-N
• InChI=1S/C33H28O9/c1-32(2,38)29-20-14-33(3,42-28-18-12-8-6-10-16(18)26(35)24(22(20)28)31(37)41-29)21-13-19-23(30(36)39-4)25(34)15-9-5-7-11-17(15)27(19)40-21/h5-13,20,29,3
• 计算化学: 氢键受体数9.0氢键供体数3.0可旋转键数4.0

物理性质

• 沸点795.7±60.0 °C at 760 mmHg
• 闪点435.0±32.9 °C
• 密度1.4±0.1 g/cm3
• PSA:135.66
• LogP:6.0284

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

• 849591-14-6 + 849591-13-5 = 849699-55-4 + 849591-17-9
  反应条件:1.1 Reagents: Phenylboronic Acid Solvents: Toluene; 12 H,120 °C
  标题:Biomimetic Synthesis And Structure Elucidation Of Rubicordifolin,A Cytotoxic Natural Product From Rubia Cordifolia
  作者:Lumb,Jean-Philip; Trauner,Dirk
  参考文献:Journal Of The American Chemical Society 日期:2005 卷标:127(9) 页码:2870-2871

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2902902000-精萘
  2905122000-异丙醇
• 💡 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