342644-43-3 (((1R,2R,3S,4S,4aR,11bR)-1-(Benzoyloxy)-1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one)

CAS号:
342644-43-3
英文名称:
(1R,2R,3S,4S,4aR,11bR)-1-(Benzoyloxy)-1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one
分子式:
C21H19NO9
分子量:
429.376866579056

(1R,2R,3S,4S,4aR,11bR)-1-(Benzoyloxy)-1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one(342644-43-3)名称与标识符

名称

英文别名:
(1R,2R,3S,4S,4aR,11bR)-1-(Benzoyloxy)-1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one;

标识符

InChIKey:
DJJSHXTUGRWWMI-QUVFKJLXSA-N
Inchi:
1S/C21H19NO9/c23-14-12-9(6-10-18(14)30-7-29-10)11-13(22-20(12)27)15(24)16(25)17(26)19(11)31-21(28)8-4-2-1-3-5-8/h1-6,11,13,15-17,19,23-26H,7H2,(H,22,27)/t11-,13-,15+,16+,17-,19-/m1/s1
SMILES:
[C@@H]1(OC(=O)C2=CC=CC=C2)[C@@]2([H])[C@@]([H])(NC(=O)C3C2=CC2OCOC=2C=3O)[C@H](O)[C@H](O)[C@H]1O

(1R,2R,3S,4S,4aR,11bR)-1-(Benzoyloxy)-1,3,4,4a,5,11b-hexahydro-2,3,4,7-tetrahydroxy[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one(342644-43-3)物化性质

实验特性

  • 沸点 : 721.9±60.0 °C(Predicted)
  • 熔点 : 180-185 °C
  • 酸度系数(pKa) : 7.65±0.70(Predicted)
  • 密度 : 1.70±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)