CAS: 1345109-46-7; 3-((1R,3As,3Bs,6R,6Ar,7As,9Ar)-6-(1,2-Dihydroxypropan-2-yl)-3A,9A-Dimethyl-1-((R,E)-6-Methyl-7-Oxohept-5-En-2-yl)Decahydro-1H-Cyclopenta[a]Cyclopropa[e]Naphthalen-6A(7H)-yl)Propanoic Acid

• 英文名称3-((1R,3As,3Bs,6R,6Ar,7As,9Ar)-6-(1,2-Dihydroxypropan-2-yl)-3A,9A-Dimethyl-1-((R,E)-6-Methyl-7-Oxohept-5-En-2-yl)Decahydro-1H-Cyclopenta[a]Cyclopropa[e]Naphthalen-6A(7H)-yl)Propanoic Acid
• 中文名称3-((1R,3AS,3BS,6R,6AR,7AS,9AR)-6-(1,2-DI羟基丙-2-基)-3A,9A-二甲基-1-((R,E)-6-甲基-7-氧代己酸PT-5-烯-2-基)十氢-1H-H[A]环丙基丙[E]萘-6A(7H)-基)基羧酸
• IUPAC名称3-((1R,3aS,3bS,6R,6aR,7aS,9aR)-6-(1,2-dihydroxypropan-2-yl)-3a,9a-dimethyl-1-((R,E)-6-methyl-7-oxohept-5-en-2-yl)decahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl)propanoic acid
• 其它别名Gardenoin J; 1H-Cyclopenta[a]Cyclopropa[e]Naphthalene-3A(4H)-Propanoic Acid, 3-(1,2-Dihydroxy-1-Methylethyl)-7-[(1R)-1,5-Dimethyl-6-Oxo-4-Hexen-1-Yl]Decahydro-6A,9A-Dimethyl-, (3R,3Ar,4As,6Ar,7R,9As,9Bs)-
• CAS编号1345109-46-7
• MFCD编号:MFCD23103674
• 分子式:C30H48O5分子量:488.71
• 产品CID: 526104

• 相似结构搜索
• InChIKey: XDQDTZXKPKVGKT-LPARWXRMSA-N
• InChI=1S/C30H48O5/c1-20(17-31)7-6-8-21(2)22-11-13-27(4)23-9-10-24(28(5,35)19-32)29(14-12-25(33)34)18-30(23,29)16-15-26(22,27)3/h7,17,21-24,32,35H,6,8-16,18-19H2,1-5H3,(H,
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数10.0

物理性质

• 沸点642.0±25.0 °C(预测)
• 闪点356.1±19.7 °C
• 密度1.14±0.1 g/cm3(预测)
• pKa:4.78±0.10(预测)
• PSA:94.83
• LogP:5.7751
• 产品应用该化合物用作相关化学和实验研究的环甲烷三丁基化合物.

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

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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• 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