1,20,39-Trimethyl-14,33,52-trioxahexadecacyclo[49.6.1.113,16.132,35.02,49.04,47.06,45.07,25.09,23.011,21.026,44.028,42.030,40.054,58.020,60.039,59]hexaconta-2(49),3,6,9,11(21),13(60),15,22,25,28,30(40),32(59),34,41,44,47,51(58),53-octadecaene-5,8,12,24,27,31,43,46,50-nonone

分子结构分类

有机化合物 - 苯类化合物 - 菲及其衍生物

中文名称

——

中文别名

——

英文名称

1,20,39-Trimethyl-14,33,52-trioxahexadecacyclo[49.6.1.113,16.132,35.02,49.04,47.06,45.07,25.09,23.011,21.026,44.028,42.030,40.054,58.020,60.039,59]hexaconta-2(49),3,6,9,11(21),13(60),15,22,25,28,30(40),32(59),34,41,44,47,51(58),53-octadecaene-5,8,12,24,27,31,43,46,50-nonone

英文别名

1,20,39-trimethyl-14,33,52-trioxahexadecacyclo[49.6.1.113,16.132,35.02,49.04,47.06,45.07,25.09,23.011,21.026,44.028,42.030,40.054,58.020,60.039,59]hexaconta-2(49),3,6,9,11(21),13(60),15,22,25,28,30(40),32(59),34,41,44,47,51(58),53-octadecaene-5,8,12,24,27,31,43,46,50-nonone

CAS

——

化学式

C₆₀H₃₆O₁₂

mdl

——

分子量

948.9

InChiKey

KHPGHFDDGVWCQK-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

11.6
重原子数：

72
可旋转键数：

0
环数：

16.0
sp3杂化的碳原子比例：

0.25
拓扑面积：

193
氢给体数：

0
氢受体数：

12

同类化合物

2,9-二(2-苯乙基)蒽并[2,1,9-DEF:6,5,10-D’E’F’]二异喹啉-1,3,8,10(2H,9H)-四酮高雌二醇马兜铃酸盐马兜铃酸C 马兜铃酸B 马兜铃酸(1:1MIXTUREOFARISTOLOCHICACIDIANDARISTOLOCHICACIDII) 马兜铃酸 Ia 马兜铃酸 IVa 马兜铃酸颜料黑32 颜料红179 颜料红178 颜料红149 颜料红123 顺式-菲-1,2-二醇-3,4-环氧化物顺式-苯并(a)屈-11,12-二醇-13,14-环氧化物雷公藤酚A 镁二(1,4,5,6,7,16,17,18,19,19,20,20-十二氯六环[14.2.1.14,7.02,15.03,8.09,14]二十-5,9,11,13,17-五烯-11-磺酸酯) 钩大青酮钩大青酮钙(2+)12-羟基十八烷酸酯那布扶林还原红32 足球烯贝那他汀B 贝母兰素萘并[2,3-b]荧蒽萘并[2,1-e][1]苯并二硫杂环戊烷萘并[2,1-C:7,8-C']二菲萘并[1,2-e][2]苯并呋喃-1,3-二酮萘并[1,2-b]屈萘并[1,2-a]蒽萘并[1,2-B]菲-6-醇萘二(六氯环戊二烯)加合物菲醌单缩氨基硫脲菲醌菲并[9,10]呋喃菲并[9,10-e]醋菲烯菲并[4,5-bcd]噻吩菲并[4,5-bcd]呋喃-3-醇菲并[4,3-d]-1,3-二噁唑-5-羧酸,10-羟基-9-甲氧基-6-硝基- 菲并[3,2-b]噻吩菲并[2,1-d]噻唑菲并[2'',1'',10'':4,5,6;7'',8'',9'':4',5',6']二异喹啉并[2,1-a:2',1'-a']二萘嵌间二氮杂苯-8,13-二酮菲并(3,4-b)噻吩菲并(1,2-b)噻吩菲<2,3-H>异喹啉菲<2,3-B>噻吩菲9,10-亚胺菲3,4-氧化物

1,20,39-Trimethyl-14,33,52-trioxahexadecacyclo[49.6.1.113,16.132,35.02,49.04,47.06,45.07,25.09,23.011,21.026,44.028,42.030,40.054,58.020,60.039,59]hexaconta-2(49),3,6,9,11(21),13(60),15,22,25,28,30(40),32(59),34,41,44,47,51(58),53-octadecaene-5,8,12,24,27,31,43,46,50-nonone

分子结构分类

计算性质

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