144923-70-6 (4H-1-苯并吡喃-4-酮,6-[(1S,5S,6R)-6-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯甲酰基]-5-(2,4-二羟基苯基)-3-甲基-2-环己烯-1-基]-2-(2,4-二羟基苯基)-5,7-二羟基-,4H-1-Benzopyran-4-one,6-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-)

CAS号:
144923-70-6
中文名称:
4H-1-苯并吡喃-4-酮,6-[(1S,5S,6R)-6-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯甲酰基]-5-(2,4-二羟基苯基)-3-甲基-2-环己烯-1-基]-2-(2,4-二羟基苯基)-5,7-二羟基-
英文名称:
4H-1-Benzopyran-4-one,6-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-
分子式:
C40H10O11
分子量:
666.500811100006

4H-1-苯并吡喃-4-酮,6-[(1S,5S,6R)-6-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯甲酰基]-5-(2,4-二羟基苯基)-3-甲基-2-环己烯-1-基]-2-(2,4-二羟基苯基)-5,7-二羟基-(144923-70-6)名称与标识符

名称

英文别名:
4H-1-Benzopyran-4-one,6-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-;4H-1-Benzopyran-4-one,6-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyc;4H-1-Benzopyran-4-one, 6-[6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-,[1S-(1a,5b,6a)]-;4H-1-Benzopyran-4-one,6-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-(9CI);Artonin I;6-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexenyl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one;6-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;

标识符

InChIKey:
ORAKBECWEWHZLY-UHFFFAOYSA-N
Inchi:
1S/C40H10O11/c1-18(2)4-7-24-28(43)11-10-25(38(24)48)39(49)35-26(22-8-5-20(41)14-29(22)44)12-19(3)13-27(35)36-31(46)17-34-37(40(36)50)32(47)16-33(51-34)23-9-6-21(42)15-30(23)45/h5-6,8-11,14-17H
SMILES:
[C]/C(=[C]/[C]C1C([O])=C(C([C]2[C](C3C([O])=C4C(OC(C5C([O])=CC([O])=CC=5)=CC4=O)=CC=3[O])[C]=C([C])[C][C]2C2C([O])=CC([O])=CC=2)=O)C=CC=1[O])/[C] |^1:0,2,6,9,10,13,20,23,31,32,34,36,39,42,49,50,^4:3,35|

4H-1-苯并吡喃-4-酮,6-[(1S,5S,6R)-6-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯甲酰基]-5-(2,4-二羟基苯基)-3-甲基-2-环己烯-1-基]-2-(2,4-二羟基苯基)-5,7-二羟基-(144923-70-6)物化性质

实验特性

  • PSA : 205.21

计算特性

  • 精确分子量 : 692.22578
  • 氢键供体数量 : 8
  • 氢键受体数量 : 11
  • 重原子数量 : 51
  • 疏水参数计算参考值(XlogP) : 4.407