41689-66-1 (Aurasperon C,Aurasperon C)

CAS号:
41689-66-1
中文名称:
Aurasperon C
英文名称:
Aurasperon C
分子式:
C31H28O12
分子量:
592.546830177307

Aurasperon C(41689-66-1)名称与标识符

名称

英文别名:
Aurasperon C;Aurasperone C;2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione;7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one;DTXSID80961903;Q27287615;2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione;2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI;UNII-R0NL28355M;41689-66-1;2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, (S)-;(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL-;2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-10-{2,5,8-TRIHYDROXY-6-METHOXY-2-METHYL-4-OXO-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-7-YL}-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE;CHEBI:133815;R0NL28355M;2,2',3,3'-tetrahydro-2,2',5,5',8-Pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho(2,3-b)pyran-4,4'-dione, 9ci;7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo(g)chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo(g)chromen-4-one;2,5-dihydroxy-6,8-dimethoxy-2-methyl-10-(2,5,8-trihydroxy-6-methoxy-2-methyl-4-oxo-2H,3H,4H-naphtho(2,3-b)pyran-7-yl)-2H,3H,4H-naphtho(2,3-b)pyran-4-one;

标识符

InChIKey:
BAIJEJFONPISHA-UHFFFAOYSA-N
Inchi:
1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3
SMILES:
O1C(C)(CC(C2C(=C3C(=CC(=CC3=C(C3C(=CC4=CC5=C(C(CC(C)(O)O5)=O)C(=C4C=3OC)O)O)C1=2)OC)OC)O)=O)O

Aurasperon C(41689-66-1)物化性质

计算特性

  • 精确分子量 : 592.15807632g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 4
  • 同位素质量 : 592.15807632g/mol
  • 重原子数量 : 43
  • 复杂度 : 1090
  • 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 : 2
  • 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) : 4.2
  • 拓扑分子极性表面积 : 181Ų

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