16568-56-2 (中膽紅素,21H-Biline-8,12-dipropanoicacid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-)

CAS号:
16568-56-2
中文名称:
中膽紅素
英文名称:
21H-Biline-8,12-dipropanoicacid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
分子式:
C33H40N4O6
分子量:
588.693908691406

中膽紅素(16568-56-2)名称与标识符

名称

中文别名:
中胆红素;中膽紅素;
英文别名:
21H-Biline-8,12-dipropanoicacid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-;21H-Biline-8,12-dipropanoicacid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl...;3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoi;MESOBILIRUBIN;(Z,Z)-Mesobilirubin;3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,19,22,24-tetrahydro-21H-biline-8,12-dipropanoic acid;3,3'-(2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-diyl)-bis-propionic acid;3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)meth;3-yl]-propionic acid;Mesobilirubin IXα;2,17-Diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid;16568-56-2;3-[2-[3-(2-Carboxy-ethyl)-5-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-2-ylmethyl]-5-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl]-propionic acid;3-(2-(3-(2-Carboxy-ethyl)-5-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-2-ylmethyl)-5-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl)-propionic acid;SCHEMBL3892962;3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;mesobilirubin-IXalpha;DTXSID401316200;2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid;3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid;Mesobilirubin IX alpha;J-010223;CHEBI:25208;21H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-;mesobilirubin IXalpha;Q27109872;Mesobilirubin IXI+/-;

标识符

InChIKey:
HVHKMUMXERBUAN-IFADSCNNSA-N
Inchi:
1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
SMILES:
OC(CCC1C(C)=C(/C=C2/C(CC)=C(C)C(N/2)=O)NC=1CC1=C(CCC(=O)O)C(C)=C(/C=C2/C(C)=C(CC)C(N/2)=O)N1)=O

中膽紅素(16568-56-2)物化性质

实验特性

  • LogP : 5.63680
  • PSA : 164.38000
  • 折射率 : 1.64
  • 沸点 : 900.9°Cat760mmHg
  • 闪点 : 498.7°C
  • 密度 : 1.283

计算特性

  • 精确分子量 : 588.29500
  • 氢键供体数量 : 6
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 12
  • 同位素质量 : 588.295
  • 重原子数量 : 43
  • 复杂度 : 1280
  • 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 : 0
  • 确定化学键立构中心数量 : 2
  • 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) : 2.9
  • 拓扑分子极性表面积 : 164A^2

中膽紅素(16568-56-2)安全信息

中膽紅素(16568-56-2)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
上海麦克林生化科技股份有限公司 15221275939
021-50706066
沈经理 269348414
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单