25374-68-9 (1H-环十一碳[d]异吲哚-1,11(2H)-二酮,6,15-双(乙酰氧基)-3,3a,4,5,6,6a,9,10,12,15-十氢-12-羟基-4,10,12-三甲基-5-亚甲基-3-(苯基甲基)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-,1H-Cycloundec[d]isoindole-1,11(2H)-dione,6,15-bis(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-12-hydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-)

CAS号:
25374-68-9
中文名称:
1H-环十一碳[d]异吲哚-1,11(2H)-二酮,6,15-双(乙酰氧基)-3,3a,4,5,6,6a,9,10,12,15-十氢-12-羟基-4,10,12-三甲基-5-亚甲基-3-(苯基甲基)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
英文名称:
1H-Cycloundec[d]isoindole-1,11(2H)-dione,6,15-bis(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-12-hydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
分子式:
C32H39NO7
分子量:
549.654569864273

1H-环十一碳[d]异吲哚-1,11(2H)-二酮,6,15-双(乙酰氧基)-3,3a,4,5,6,6a,9,10,12,15-十氢-12-羟基-4,10,12-三甲基-5-亚甲基-3-(苯基甲基)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-(25374-68-9)名称与标识符

名称

英文别名:
1H-Cycloundec[d]isoindole-1,11(2H)-dione,6,15-bis(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-12-hydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-;1H-Cycloundec[d]isoindole-1,11(2H)-dione,6,15-bis(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-12-hydroxy-4,10,12-trimethyl-;[11]Cytochalasa-6(12),13,19-triene-1,17-dione,7,21-bis(acetyloxy)-18-hydroxy-16,18-dimethyl-10-phenyl-,(7S,13E,16S,18R,19E,21R)-;1H-Cycloundec[d]isoindole-1,11(2H)-dione,3-benzyl-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-,6,15-diacetate, (E,E)-(3S,3aR,4S,6S,6aR,10S,12R,15R,15aR)- (8CI);1H-Cycloundec[d]isoindole-1,11(2H)-dione,6,15-bis(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-12-hydroxy-;Zygosporin E acetate;7-Acetylcytochalasin D;25374-68-9;(11)Cytochalasa-6(12),13,19-triene-1,17-dione, 7,21-bis(acetyloxy)-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-;Zygosporin F;

标识符

InChIKey:
APXVRVLJIANRPI-VUOSUOSOSA-N
Inchi:
1S/C32H39NO7/c1-18-11-10-14-24-28(40-22(5)35)20(3)19(2)27-25(17-23-12-8-7-9-13-23)33-30(37)32(24,27)26(39-21(4)34)15-16-31(6,38)29(18)36/h7-10,12-16,18-19,24-28,38H,3,11,17H2,1-2,4-6H3,(H,33,37)/b14-10+,16-15+/t18-,19+,24-,25-,26+,27-,28+,31+,32+/m0/s1
SMILES:
O(C(C)=O)[C@@H]1C(=C)[C@@H](C)[C@H]2[C@H](CC3C=CC=CC=3)NC([C@@]32[C@@H](C=C[C@](C)(C([C@@H](C)CC=C[C@H]31)=O)O)OC(C)=O)=O |t:24,32|

1H-环十一碳[d]异吲哚-1,11(2H)-二酮,6,15-双(乙酰氧基)-3,3a,4,5,6,6a,9,10,12,15-十氢-12-羟基-4,10,12-三甲基-5-亚甲基-3-(苯基甲基)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-(25374-68-9)物化性质

计算特性

  • 精确分子量 : 432.126776
  • 氢键供体数量 : 6
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 7
  • 同位素质量 : 432.126776
  • 重原子数量 : 30
  • 复杂度 : 733
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 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) : 3.3
  • 拓扑分子极性表面积 : 192