2468-88-4 (2,4,6,8,10,12,14,16,18,20-二十碳烯酸,2,6,10,15,19-五甲基-21-(2,6,6-三甲基-1-环己烯-1-基)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-,2,4,6,8,10,12,14,16,18,20-Heneicosadecaenoicacid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-)

CAS号:
2468-88-4
中文名称:
2,4,6,8,10,12,14,16,18,20-二十碳烯酸,2,6,10,15,19-五甲基-21-(2,6,6-三甲基-1-环己烯-1-基)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-
英文名称:
2,4,6,8,10,12,14,16,18,20-Heneicosadecaenoicacid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-
分子式:
C35H46O2
分子量:
498.738550662994

2,4,6,8,10,12,14,16,18,20-二十碳烯酸,2,6,10,15,19-五甲基-21-(2,6,6-三甲基-1-环己烯-1-基)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-(2468-88-4)名称与标识符

名称

英文别名:
2,4,6,8,10,12,14,16,18,20-Heneicosadecaenoicacid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-;(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid;2,4,6,8,10,12,14,16,18,20-Heneicosadecaenoicacid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2E,4E,6E,;4'-Apo-β,ψ-caroten-4'-oic acid;(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid;neurosporaxanthin;4'-Apo-.gamma.-carotenoic acid;2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-;4'-apo-beta,psi-caroten-4'-oic acid;SCHEMBL114498;LMPR01070206;(all-E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-y l)-2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid;InChI=1/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22;C08607;2468-88-4;4'-Apo-.beta.,.psi.-carotenoic acid;2,4,6,8,10,12,14,16,18,20-Heneicosadecaenoic acid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-;2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-cyclohex-1-enyl)-henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid;beta-apo-4'-carotenoic acid;4'-apo-beta-caroten-4'-oic acid;Neurosporaxanthin, all-trans-;(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoic acid;DTXSID50348404;all-trans-Neurosporaxanthin;CHEBI:7540;all-trans-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid;4'-Apo-.gamma.-carotenoic acid, all-trans-;Q27107525;Neuroraxanthin;

标识符

InChIKey:
UGJYMKZYSUMAKJ-ZGMBEONKSA-N
Inchi:
1S/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+
SMILES:
OC(/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)=O

2,4,6,8,10,12,14,16,18,20-二十碳烯酸,2,6,10,15,19-五甲基-21-(2,6,6-三甲基-1-环己烯-1-基)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-(2468-88-4)物化性质

实验特性

  • PSA : 37.3

计算特性

  • 精确分子量 : 498.34998
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 11
  • 同位素质量 : 498.349780706g/mol
  • 重原子数量 : 37
  • 复杂度 : 1130
  • 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 : 10
  • 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) : 11.4
  • 拓扑分子极性表面积 : 37.3Ų

2,4,6,8,10,12,14,16,18,20-二十碳烯酸,2,6,10,15,19-五甲基-21-(2,6,6-三甲基-1-环己烯-1-基)-,(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-(2468-88-4)相关文献