162616-68-4 (4H-1-苯并吡喃-4-酮,2,3-二氢-5,7-二羟基-2-[4-羟基-3-(2-羟基-3-甲基-3-丁烯基)苯基]-8-(3-甲基-2-丁烯基)-(9CI),4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-8-(3-methyl-2-butenyl)-(9CI))

CAS号:
162616-68-4
中文名称:
4H-1-苯并吡喃-4-酮,2,3-二氢-5,7-二羟基-2-[4-羟基-3-(2-羟基-3-甲基-3-丁烯基)苯基]-8-(3-甲基-2-丁烯基)-(9CI)
英文名称:
4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-8-(3-methyl-2-butenyl)-(9CI)
分子式:
C25H28O6
分子量:
424.486227989197
植物源:

4H-1-苯并吡喃-4-酮,2,3-二氢-5,7-二羟基-2-[4-羟基-3-(2-羟基-3-甲基-3-丁烯基)苯基]-8-(3-甲基-2-丁烯基)-(9CI)(162616-68-4)名称与标识符

名称

英文别名:
4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-8-(3-methyl-2-butenyl)-(9CI);Lupiniol B;4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-8-(3-methyl-2-butenyl)-(;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-8-(3-methyl-2-butenyl)- (9CI);

标识符

InChIKey:
ZIFOBFDMFABKAN-UHFFFAOYSA-N
Inchi:
1S/C25H28O6/c1-13(2)5-7-17-20(28)11-21(29)24-22(30)12-23(31-25(17)24)15-6-8-18(26)16(9-15)10-19(27)14(3)4/h5-6,8-9,11,19,23,26-29H,3,7,10,12H2,1-2,4H3
SMILES:
C1(C2=CC=C(O)C(CC(O)C(C)=C)=C2)OC2=C(C/C=C(/C)\C)C(O)=CC(O)=C2C(=O)C1

4H-1-苯并吡喃-4-酮,2,3-二氢-5,7-二羟基-2-[4-羟基-3-(2-羟基-3-甲基-3-丁烯基)苯基]-8-(3-甲基-2-丁烯基)-(9CI)(162616-68-4)物化性质

计算特性

  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 重原子数量 : 31
  • 疏水参数计算参考值(XlogP) : 2.284