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3a(1H),7’:3’a,3’’a(1’H,1’’H):7’’,3’’a(1’’H)-四吡咯并[2,3-b]吲哚,2,2’,2’’,3’’,3’’,8,8’,8’’,8’’,8a,8’’a,8’’a,8’’a-十六氢-1,1’,1’’-四甲基,立体异构体(9CI) | 112295-93-9

3a(1H),7’:3’a,3’’a(1’H,1’’H):7’’,3’’a(1’’H)-四吡咯并[2,3-b]吲哚,2,2’,2’’,3’’,3’’,8,8’,8’’,8’’,8a,8’’a,8’’a,8’’a-十六氢-1,1’,1’’-四甲基,立体异构体(9CI)结构式图片|112295-93-9结构式图片
3a(1H),7’:3’a,3’’a(1’H,1’’H):7’’,3’’a(1’’H)-四吡咯并[2,3-b]吲哚,2,2’,2’’,3’’,3’’,8,8’,8’’,8’’,8a,8’’a,8’’a,8’’a-十六氢-1,1’,1’’-四甲基,立体异构体(9CI)
3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H)-Quaterpyrrolo[2,3-b]indole,2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecahydro-1,1',1'',1'''-tetramethyl-,stereoisomer (9CI)
112295-93-9
C44H50N8
690.9214
172448
名称和标识符
InChIKey XRCKDTICIIHERM-UHFFFAOYSA-N
Inchi InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3
SMILES C1=CC=C2C3(C4C=CC=C5C6(C78CCN(C)C7NC7=C(C9%10CCN(C)C9NC9=CC=CC=C9%10)C=CC=C87)CCN(C)C6NC=45)CCN(C)C3NC2=C1
别名信息
- 中文别名 -
- 英文别名 -
  • 3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H)-Quaterpyrrolo[2,3-b]indole,2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecahydro-1,1',1'',1'''-tetramethyl-,stereoisomer (9CI)
  • 3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a(1'''H)-Quaterpyrrolo[2,3-b]indole,2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''
  • Q27108134
  • Q27108134
  • Q27108134
  • Pyrrolo[2,3-b]indole, quadrigemine A deriv.
  • Pyrrolo[2,3-b]indole, quadrigemine A deriv.
  • Pyrrolo[2,3-b]indole, quadrigemine A deriv.
  • Quadrigemin-C
  • Quadrigemin-C
  • Quadrigemin-C
  • SCHEMBL19655967
  • SCHEMBL19655967
  • SCHEMBL19655967
  • 112295-93-9
  • 112295-93-9
  • 112295-93-9
  • CHEBI:8689
  • CHEBI:8689
  • CHEBI:8689
  • Quadrigemine-A
  • Quadrigemine-A
  • Quadrigemine-A
  • Calycanthidine, 1-demethyl-8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (2'beta,3'alpha,8(3aR,8aR),8'(3aR,8aR))-
  • Calycanthidine, 1-demethyl-8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (2'beta,3'alpha,8(3aR,8aR),8'(3aR,8aR))-
  • 69937-02-6
  • Calycanthidine, 1-demethyl-8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (2'beta,3'alpha,8(3aR,8aR),8'(3aR,8aR))-
  • 69937-02-6
  • Quadrigemine A
  • Quadrigemine A
  • 69937-02-6
  • C09234
  • Quadrigemine A
  • C09234
  • Stereoisomer of 2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecah ydro-1,1',1'',1'''-tetramethyl-3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a (1'''H)-quaterpyrrolo[2,3-b]indole
  • C09234
  • Stereoisomer of 2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecah ydro-1,1',1'',1'''-tetramethyl-3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a (1'''H)-quaterpyrrolo[2,3-b]indole
  • DTXSID90920723
  • Stereoisomer of 2,2',2'',2''',3,3',3'',3''',8,8',8'',8''',8a,8'a,8''a,8'''a-hexadecah ydro-1,1',1'',1'''-tetramethyl-3a(1H),7':3'a,3''a(1'H,1''H):7'',3'''a (1'''H)-quaterpyrrolo[2,3-b]indole
  • DTXSID90920723
  • XRCKDTICIIHERM-UHFFFAOYSA-N
  • DTXSID90920723
  • XRCKDTICIIHERM-UHFFFAOYSA-N
  • 1~1~,2~1~,3~1~,4~1~-Tetramethyl-1~2~,1~3~,1~8~,1~8a~,2~2~,2~3~,2~8~,2~8a~,3~2~,3~3~,3~8~,3~8a~,4~2~,4~3~,4~8~,4~8a~-hexadecahydro-1~1~H,2~1~H,3~1~H,4~1~H-1~3a~,2~7~:2~3a~,3~3a~:3~7~,4~3a~-quaterpyrrolo[2,3-b]indole
  • XRCKDTICIIHERM-UHFFFAOYSA-N
  • 1~1~,2~1~,3~1~,4~1~-Tetramethyl-1~2~,1~3~,1~8~,1~8a~,2~2~,2~3~,2~8~,2~8a~,3~2~,3~3~,3~8~,3~8a~,4~2~,4~3~,4~8~,4~8a~-hexadecahydro-1~1~H,2~1~H,3~1~H,4~1~H-1~3a~,2~7~:2~3a~,3~3a~:3~7~,4~3a~-quaterpyrrolo[2,3-b]indole
  • Quadrigemine C
  • 1~1~,2~1~,3~1~,4~1~-Tetramethyl-1~2~,1~3~,1~8~,1~8a~,2~2~,2~3~,2~8~,2~8a~,3~2~,3~3~,3~8~,3~8a~,4~2~,4~3~,4~8~,4~8a~-hexadecahydro-1~1~H,2~1~H,3~1~H,4~1~H-1~3a~,2~7~:2~3a~,3~3a~:3~7~,4~3a~-quaterpyrrolo[2,3-b]indole
  • Quadrigemine C
  • Quadrigemine C
物化性质
实验特性
折射率 1.68
沸点 °Cat760mmHg
闪点 °C
密度 1.275
计算特性
精确分子量 690.416
氢键供体数量 4
氢键受体数量 8
可旋转化学键数量 3
同位素质量 690.416
重原子数量 52
复杂度 1320
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 8
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 7.5
拓扑分子极性表面积 61.1Ų
专业数据库参考
PubChemId 172448
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