24948-14-9 ((+-)马海宁,(+-)Mahanimbin)

CAS号:
24948-14-9
中文名称:
(+-)马海宁
英文名称:
(+-)Mahanimbin
分子式:
C23H25NO
分子量:
331.450706243515

(+-)马海宁(24948-14-9)名称与标识符

名称

英文别名:
(+-)Mahanimbin;(+-)-Mahanimbin;(+)-Mahanimbine;(卤)-Mahanimbine;3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[5,6-a]carbazole;3,5-dimethyl-3-(4-methyl-pent-3-enyl)-3,11-dihydro-pyrano[3,2-a]carbazole;Dihydromahanimbin;dl-mahanimbine;mahanimbine;(+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole;24948-14-9;CHEBI:6646;DTXSID601035072;C09220;CHEMBL495873;HTNVFUBCWIYPJN-UHFFFAOYSA-N;SCHEMBL2991765;3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole;(+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)pyrano[3,2-a]carbazole;Mahanimbine, analytical standard;NCGC00160181-02;NCGC00160181-03;DA-75252;3,5-Dimethyl-3-(4-methyl-pent-3-enyl)-3,11-dihydro-4-oxa-11-aza-benzo[a]fluorene;Q27107290;(+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano(3,2-a)carbazole;ACon1_002475;Rel-(+)-Mahanimbine;NSC186884;21104-28-9;3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazole;NSC-186884;3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano(3,2-a)carbazole;BDBM50207385;MEGxp0_002025;AK-693/40962734;Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-;FD137460;Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-;Mahanimbin;DTXCID501519536;5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,3,7,9,11,13,15-heptaene;FS-7575;NCGC00160181-01;

标识符

InChIKey:
HTNVFUBCWIYPJN-UHFFFAOYSA-N
Inchi:
1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
SMILES:
C/C(=C\CCC1(C=CC2C(=C(C=C3C4C(=CC=CC=4)NC3=2)C)O1)C)/C

(+-)马海宁(24948-14-9)物化性质

计算特性

  • 精确分子量 : 331.193614421Da
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 331.193614421Da
  • 重原子数量 : 25
  • 复杂度 : 548
  • 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 : 1
  • 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) : 6.6
  • 拓扑分子极性表面积 : 25Ų

(+-)马海宁(24948-14-9)相关文献