126372-53-0 (8H-环五环十二烯-8-酮,13,13a-双(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-6-羟基-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12R,13R,13aR)-(9CI),8H-Cyclopentacyclododecen-8-one,13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI))

CAS号:
126372-53-0
中文名称:
8H-环五环十二烯-8-酮,13,13a-双(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-6-羟基-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12R,13R,13aR)-(9CI)
英文名称:
8H-Cyclopentacyclododecen-8-one,13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12R,13R,13aR)- (9CI)
分子式:
C31H40O8
分子量:
540.644510269165
植物源:

8H-环五环十二烯-8-酮,13,13a-双(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-6-羟基-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12R,13R,13aR)-(9CI)(126372-53-0)名称与标识符

名称

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

标识符

InChIKey:
OQLAYVOSMBSWSF-KURHSNMDSA-N
Inchi:
1S/C31H40O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24-25,27-28,34H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20+,24+,25-,27+,28-,31-/m1/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](O)C(C)=C2 |t:29,40|

8H-环五环十二烯-8-酮,13,13a-双(乙酰氧基)-3-(苯甲酰氧基)-1,2,3,3a,6,7,9,12,13,13a-十氢-6-羟基-2,5,9,9,12-五甲基-(2S,3S,3aS,4E,6R,10E,12R,13R,13aR)-(9CI)(126372-53-0)物化性质

实验特性

  • PSA : 52.54
  • 沸点 : 621.8±55.0 °C(Predicted)
  • 酸度系数(pKa) : 13.30±0.70(Predicted)
  • 密度 : 1.19±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 272.08309