CAS: 619326-74-8; 7,14B-Dimethyl-3,4,4A1,5,6,6A,7,8,9A,11,12,12A,13,14,14A,14B-Hexadecahydro-2H-Cyclopenta[hi]Indeno[4,5-E]Pyrano[2,3-G]Indolizin-2-One

• 英文名称7,14B-Dimethyl-3,4,4A1,5,6,6A,7,8,9A,11,12,12A,13,14,14A,14B-Hexadecahydro-2H-Cyclopenta[hi]Indeno[4,5-E]Pyrano[2,3-G]Indolizin-2-One
• 中文名称脱氧卡色素B
• IUPAC名称7,14b-dimethyl-3,4,4a1,5,6,6a,7,8,9a,11,12,12a,13,14,14a,14b-hexadecahydro-2H-cyclopenta[hi]indeno[4,5-e]pyrano[2,3-g]indolizin-2-one
• 其它别名Deoxycalyciphylline B; 7H-Cyclopent[hi]Indeno[4,5-E]Pyrano[2,3-G]Indolizin-7-One, 1,2,2A,3,4,5,6,8A,8B,9,10,10A,11,12,13B,14A-Hexadecahydro-2,8A-Dimethyl-, (2S,2Ar,4As,8Ar,8Bs,10Ar,13Br,14As)-; (4As,4A1S,6Ar,7S,9Ar,12Ar,14As,14Br)-7,14B-Dimethyl-3,4,4A1,5,6,6A,7,8,9A,11,12,12A,13,14,14A,14B-Hexadecahydro-2H-Cyclopenta[hi]Indeno[4,5-E]Pyrano[2,3-G]Indolizin-2-One
• CAS编号619326-74-8
• MFCD编号:MFCD20260465
• 分子式:C22H31NO2分子量:341.49
• 产品CID: 2533516
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• InChIKey: NGQSEZXJVMCXSC-BPGMYFSDSA-N
• InChI=1S/C22H31NO2/c1-13-12-23-19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)25-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点182 °C (分解)
• 沸点502.3±50.0 °C(预测)
• 密度1.20±0.1 g/cm3(预测)
• pKa:9.03±0.60(预测)
• PSA:29.54
• LogP:3.8653

MSDS等安全信息

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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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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• ➥ REACH监管