26894-49-5 (链孢酚单甲醚 AME,ALTERNARIOL MONOMETHYL ETHER)

CAS号:
26894-49-5
中文名称:
链孢酚单甲醚 AME
英文名称:
ALTERNARIOL MONOMETHYL ETHER
分子式:
C15H12O5
分子量:
272.252784729004

链孢酚单甲醚 AME(26894-49-5)名称与标识符

名称

中文别名:
链孢酚单甲醚 AME;3,7-二羟基-9-甲氧基-1-甲基-6H-苯并[c]苯并吡喃-6-酮;格链孢醇单甲醚;交链孢酚单甲醚;交链孢酚单甲醚标准品;交链孢酚单甲醚标准品 Alternariol monomethyl Ether AME;交链孢霉单甲基醚;链孢酚单甲醚;
英文别名:
ALTERNARIOL MONOMETHYL ETHER;3,7-Dihydroxy-9-methoxy-1-methyl-6H-benzo[c]chromen-6-one;AME;Alternariol monomethyl ether (9methoxy);Alternariol-9-methyl ether, analytical standard;BDBM50276157;26894-49-5;3,7-dihydroxy-9-methoxy-1-methyl-benzo[c]chromen-6-one;alternariol 9-methyl ether;Alternariol monomethylether;1ST7257-100M;AKOS027295171;2-Biphenylcarboxylic acid, 2',3',4'-trihydroxy-5-methoxy-6'-methyl-, delta-lactone;1ST7257;J-016590;NSC-638262;CCRIS 2898;CHEMBL483526;Djalonensone;UNII-Y79STA800H;BS-1261;CS-W014579;Alternariol monomethyl ether, Djalonensone;3,7-Dihydroxy-9-methoxy-1-methyl-6H-benzo[c]chromen-6-one #;Y79STA800H;BRN 0253553;3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one;LCSDQFNUYFTXMT-UHFFFAOYSA-N;3,7-Dihydroxy-9-methoxy-1-methyl-6H-dibenzo(b,d)pyran-6-one;HY-W013863;Q27294342;23452-05-3;Alternariol methyl ether;Alternariol monomethyl ether (9methoxy) solution in Methanol, 100ug/mL;Alternariol monomethyl ether/AME;DTXSID30178004;MFCD00058532;Alternariol monomethyl ether from Alternaria alternata (tenuis);FT-0661537;NS00018324;alternariol5-O-methylether;NSC638262;SMR003474896;6H-DIBENZO(b,d)PYRAN-6-ONE, 3,7-DIHYDROXY-9-METHOXY-1-METHYL-;Alternariol-9-methyl ether;5-18-04-00517 (Beilstein Handbook Reference);CHEBI:141315;Alternariol 9-O-methyl ether;MEGxm0_000058;alternariol 5-O-methyl ether;6H-Dibenzo[b,d]pyran-6-one, 3,7(3,9 or 7,9)-dihydroxy-9(7 or 3)-methoxy-1-methyl-;3,7-Dihydroxy-9-methoxy-1-methyl-6H-dibenzo[b,d]pyran-6-one;MLS004711973;DA-50364;Alternariol methylether;G76940;Alternariol-methylether;alternariolmonomethylether;6H-Dibenzo[b,d]pyran-6-one, 3,7-dihydroxy-9-methoxy-1-methyl-;

标识符

InChIKey:
LCSDQFNUYFTXMT-UHFFFAOYSA-N
Inchi:
1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
SMILES:
O1C(C2C(=CC(=CC=2C2=C1C=C(C=C2C)O)OC)O)=O

链孢酚单甲醚 AME(26894-49-5)物化性质

实验特性

  • LogP : 2.67440
  • PSA : 79.90000

计算特性

  • 精确分子量 : 272.06800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 1
  • 同位素质量 : 272.06847348g/mol
  • 重原子数量 : 20
  • 复杂度 : 385
  • 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 : 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) : 3.2
  • 拓扑分子极性表面积 : 76Ų

链孢酚单甲醚 AME(26894-49-5)安全信息

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