11051-88-0 (椰油碘醇,Cochliodinol)

CAS号:
11051-88-0
中文名称:
椰油碘醇
英文名称:
Cochliodinol
分子式:
C32H30N2O4
分子量:
506.591608524323

椰油碘醇(11051-88-0)名称与标识符

名称

英文别名:
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis[5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-;2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione;Cochliodinol;Cochliodinol, from Chaetomium globosum.;2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1H-indol-3-yl);2,5-Dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione;2,5-dihydroxy-3,6-bis-[5-(3-methyl-but-2-enyl)-indol-3-yl]-[1,4]benzoquinone;3,6-Bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-p-benzoquinone;chochliodinol;p-Benzoquinone,3,6-bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy;Cochliodinol,fromChaetomiumglobosum.;2,5-Dihydroxy-3,6-bis[5-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,4-benzoquinone;2,5-Dihydroxy-3,6-bis[5-(3-methyl-2-butenyl)-1H-indol-3-yl]-2,5-cyclohexadiene-1,4-dione;

标识符

InChIKey:
ZXRULNXZJSCTQQ-UHFFFAOYSA-N
Inchi:
1S/C32H30N2O4/c1-17(2)5-7-19-9-11-25-21(13-19)23(15-33-25)27-29(35)31(37)28(32(38)30(27)36)24-16-34-26-12-10-20(14-22(24)26)8-6-18(3)4/h5-6,9-16,33-35,38H,7-8H2,1-4H3
SMILES:
OC1C(C(=C(C(C=1C1=CNC2C=CC(C/C=C(\C)/C)=CC1=2)=O)O)C1=CNC2C=CC(C/C=C(\C)/C)=CC1=2)=O

椰油碘醇(11051-88-0)物化性质

实验特性

  • LogP : 7.05680
  • PSA : 106.18000
  • 折射率 : 1.5800 (estimate)
  • 沸点 : 595.2°C (rough estimate)
  • 熔点 : 214°C
  • 密度 : 1.1848 (rough estimate)

计算特性

  • 精确分子量 : 506.22100