102516-53-0 (16H-1,24:6,9-二苯-11,15-甲硫氨酸-5H-吡啶并[2',3':17,18][1,11]二氧酰基氯代[2,3,4-ij]异喹啉-5-酮,16a,17,18,19-四氢-12,21,22,26-四甲氧基-17-甲基-(+)-(9CI),16H-1,24:6,9-Dietheno-11,15-metheno-5H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-5-one,16a,17,18,19-tetrahydro-12,21,22,26-tetramethoxy-17-methyl-, (+)- (9CI))

CAS号:
102516-53-0
中文名称:
16H-1,24:6,9-二苯-11,15-甲硫氨酸-5H-吡啶并[2',3':17,18][1,11]二氧酰基氯代[2,3,4-ij]异喹啉-5-酮,16a,17,18,19-四氢-12,21,22,26-四甲氧基-17-甲基-(+)-(9CI)
英文名称:
16H-1,24:6,9-Dietheno-11,15-metheno-5H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-5-one,16a,17,18,19-tetrahydro-12,21,22,26-tetramethoxy-17-methyl-, (+)- (9CI)
分子式:
C37H34N2O7
分子量:
618.675070285797

16H-1,24:6,9-二苯-11,15-甲硫氨酸-5H-吡啶并[2',3':17,18][1,11]二氧酰基氯代[2,3,4-ij]异喹啉-5-酮,16a,17,18,19-四氢-12,21,22,26-四甲氧基-17-甲基-(+)-(9CI)(102516-53-0)名称与标识符

名称

英文别名:
16H-1,24:6,9-Dietheno-11,15-metheno-5H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-5-one,16a,17,18,19-tetrahydro-12,21,22,26-tetramethoxy-17-methyl-, (+)- (9CI);16H-1,24:6,9-Dietheno-11,15-metheno-5H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]is...;16H-1,24:6,9-Dietheno-11,15-metheno-5H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-5-one,16a,17,18,19-te;oxofangchirine;16H-1,24:6,9-Dietheno-11,15-metheno-5H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-5-one, 16a,17,18,19-tetrahydro-12,21,22,26-tetramethoxy-17-methyl-, (+)-;6,6',7,12-tetramethoxy-2-methyl-1',2',3',4'-tetradehydroberbaman-15'-one;CHEBI:132895;9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,28,31-tetradecaen-2-one;102516-53-0;DTXSID40907660;(+)-Oxofangchirine;

标识符

InChIKey:
INUHRHLZFLIFNB-UHFFFAOYSA-N
Inchi:
1S/C37H34N2O7/c1-39-15-13-24-19-32(43-4)36(44-5)37-33(24)27(39)16-21-6-11-28(41-2)30(17-21)45-25-9-7-22(8-10-25)35(40)34-26-20-31(46-37)29(42-3)18-23(26)12-14-38-34/h6-12,14,17-20,27H,13,15-16H2,1-5H3
SMILES:
O1C2C(=CC3C=CN=C(C(C4C=CC(=CC=4)OC4C(=CC=C(C=4)CC4C5C1=C(C(=CC=5CCN4C)OC)OC)OC)=O)C=3C=2)OC

16H-1,24:6,9-二苯-11,15-甲硫氨酸-5H-吡啶并[2',3':17,18][1,11]二氧酰基氯代[2,3,4-ij]异喹啉-5-酮,16a,17,18,19-四氢-12,21,22,26-四甲氧基-17-甲基-(+)-(9CI)(102516-53-0)物化性质

实验特性

  • LogP : 7.10780
  • PSA : 88.58
  • 折射率 : 1.62
  • 沸点 : 773.2°Cat760mmHg
  • 闪点 : 421.4°C
  • 密度 : 1.251

计算特性

  • 精确分子量 : 618.23672
  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 618.236601
  • 重原子数量 : 46
  • 复杂度 : 1020
  • 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 : 1
  • 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) : 6.8
  • 拓扑分子极性表面积 : 88.6

16H-1,24:6,9-二苯-11,15-甲硫氨酸-5H-吡啶并[2',3':17,18][1,11]二氧酰基氯代[2,3,4-ij]异喹啉-5-酮,16a,17,18,19-四氢-12,21,22,26-四甲氧基-17-甲基-(+)-(9CI)(102516-53-0)相关文献