137130-31-5 (1-{2,4,6-三羟基-3-[7-羟基-2-(4-羟基苯基)-3,4-二氢-2H-色烯-4-基]苯基}十二烷-1-酮,1-{2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}dodecan-1-one)

CAS号:
137130-31-5
中文名称:
1-{2,4,6-三羟基-3-[7-羟基-2-(4-羟基苯基)-3,4-二氢-2H-色烯-4-基]苯基}十二烷-1-酮
英文名称:
1-{2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}dodecan-1-one
分子式:
C33H40O7
分子量:
548.66651058197

1-{2,4,6-三羟基-3-[7-羟基-2-(4-羟基苯基)-3,4-二氢-2H-色烯-4-基]苯基}十二烷-1-酮(137130-31-5)名称与标识符

名称

英文别名:
1-{2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}dodecan-1-one;1-(3-(3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxyphenyl)-1-dodecanone;1-Dodecanone, 1-(3-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxyphenyl)-;1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one;

标识符

InChIKey:
JGXZVDAPLSTBGZ-UHFFFAOYSA-N
Inchi:
1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3
SMILES:
O1C2C=C(C=CC=2C(C2C(=CC(=C(C(CCCCCCCCCCC)=O)C=2O)O)O)CC1C1C=CC(=CC=1)O)O

1-{2,4,6-三羟基-3-[7-羟基-2-(4-羟基苯基)-3,4-二氢-2H-色烯-4-基]苯基}十二烷-1-酮(137130-31-5)物化性质

实验特性

  • PSA : 127.45

计算特性

  • 精确分子量 : 548.2775