126372-50-7 (8H-环五环十二烯-8-酮,6,13,13a-三(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)-(9CI),8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI))

CAS号:
126372-50-7
中文名称:
8H-环五环十二烯-8-酮,6,13,13a-三(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)-(9CI)
英文名称:
8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI)
分子式:
C33H42O9
分子量:
582.68119096756
植物源:

8H-环五环十二烯-8-酮,6,13,13a-三(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)-(9CI)(126372-50-7)名称与标识符

名称

英文别名:
8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI);8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentame;8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,[2S-(2R*,3R*,3aR*,4E,6S*,10E,12R*,13S*,13aS*)]-;Euphornin H;8H-Cyclopentacyclododecen-8-one, 6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI);

标识符

InChIKey:
JDXJTMWWGZXTGE-DVZNHECKSA-N
Inchi:
1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14+,20-16+/t19-,21-,26-,27+,29-,30+,33+/m0/s1
SMILES:
[C@]12([H])[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](C)C[C@]1(OC(C)=O)[C@H](OC(C)=O)[C@@H](C)C=CC(C)(C)C(=O)C[C@@H](OC(C)=O)C(C)=C2 |t:29,43|

8H-环五环十二烯-8-酮,6,13,13a-三(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)-(9CI)(126372-50-7)物化性质

实验特性

  • PSA : 52.54
  • 沸点 : 627.9±55.0 °C(Predicted)
  • 密度 : 1.18±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 272.08309