23057-58-1 (2-丙烯-1-酮,1-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯基]-3-[2,2-二甲基-8-(3-甲基-2-丁烯-1-基)-2H-1-苯并吡喃-6-基],(2E)-,2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-yl]-,(2E)-)

CAS号:
23057-58-1
中文名称:
2-丙烯-1-酮,1-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯基]-3-[2,2-二甲基-8-(3-甲基-2-丁烯-1-基)-2H-1-苯并吡喃-6-基],(2E)-
英文名称:
2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-yl]-,(2E)-
分子式:
C30H34O4
分子量:
458.588569164276

2-丙烯-1-酮,1-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯基]-3-[2,2-二甲基-8-(3-甲基-2-丁烯-1-基)-2H-1-苯并吡喃-6-基],(2E)-(23057-58-1)名称与标识符

名称

英文别名:
2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-yl]-,(2E)-;2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-;2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-[2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-,(2E)- (9CI);2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-[2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-,(E)-;Acrylophenone,3-[2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2',4'-dihydroxy-3'-(3-methyl-2-butenyl)-(8CI);Sophoradochromene;

标识符

InChIKey:
AIFRLZKCLIPEMC-UKTHLTGXSA-N
Inchi:
1S/C30H34O4/c1-19(2)7-10-22-17-21(18-23-15-16-30(5,6)34-29(22)23)9-13-26(31)25-12-14-27(32)24(28(25)33)11-8-20(3)4/h7-9,12-18,32-33H,10-11H2,1-6H3/b13-9+
SMILES:
C1(C=CC(O)=C(C/C=C(\C)/C)C=1O)C(=O)/C=C/C1C=C(C/C=C(\C)/C)C2=C(C=CC(C)(C)O2)C=1

2-丙烯-1-酮,1-[2,4-二羟基-3-(3-甲基-2-丁烯-1-基)苯基]-3-[2,2-二甲基-8-(3-甲基-2-丁烯-1-基)-2H-1-苯并吡喃-6-基],(2E)-(23057-58-1)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 重原子数量 : 34
  • 疏水参数计算参考值(XlogP) : 6.08