CAS: 912329-03-4; (3S,7S,8R,9S,10S,13R,14S,17R)-7-Methoxy-17-((R,E)-6-Methoxy-6-Methylhept-4-En-2-yl)-4,4,9,13,14-Pentamethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol

• 英文名称(3S,7S,8R,9S,10S,13R,14S,17R)-7-Methoxy-17-((R,E)-6-Methoxy-6-Methylhept-4-En-2-yl)-4,4,9,13,14-Pentamethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• 中文名称(3S,7S,8R,9S,10S,13R,14S,17R)-7-甲氧基-17-((R,E)-6-甲氧基-6-甲基庚-4-烯-2-基)-4,4,9,13,14-五甲基-2,3,4,7,8,9,10,11,12,13,14,15,16,17-四十氢-1H-H[A]菲-3-醇
• IUPAC名称(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-((R,E)-6-methoxy-6-methylhept-4-en-2-yl)-4,4,9,13,14-pentamethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• 其它别名Karavilagenin A; (23E)-7Beta,25-Dimethoxycucurbita-5,23-Dien-3Beta-Ol; (1S,4S,7S,9β,23E)-7,25-Dimethoxy-9,10,14-Trimethyl-4,9-Cyclo-9,10-Secocholesta-5,23-Dien-1-Ol; 19-Norlanosta-5,23-Dien-3-Ol, 7,25-Dimethoxy-9-Methyl-, (3β,7β,9β,10α,23E)-; 3β-Hydroxy-7β,25-Dimethoxycucurbita-5,23-Diene
• CAS编号912329-03-4
• MFCD编号:MFCD20260935
• 分子式:C32H54O3分子量:486.78
• 产品CID: 1947098

• 相似结构搜索
• InChIKey: OJXKMMLNVLFMJM-QTACYZFBSA-N
• InChI=1S/C32H54O3/c1-21(12-11-16-28(2,3)35-10)22-15-17-32(8)27-25(34-9)20-24-23(13-14-26(33)29(24,4)5)30(27,6)18-19-31(22,32)7/h11,16,20-23,25-27,33H,12-15,17-19H2,1-10H3
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数6.0

物理性质

• 沸点543.2±40.0 °C(预测)
• 密度1.01±0.1 g/cm3(预测)
• pKa:14.94±0.70(预测)
• PSA:38.69
• LogP:7.5848
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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

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海关参考信息

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