114622-14-9 (6-氧杂-15,20,24,27-四氮杂四环[13.9.6.22,5.17,11]三氮杂-2,4,7,9,11(31),12,32-庚烯-14,26-二酮,8-羟基-,(1S,12Z)-(9CI),6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione,8-hydroxy-, (1S,12Z)- (9CI))

CAS号:
114622-14-9
中文名称:
6-氧杂-15,20,24,27-四氮杂四环[13.9.6.22,5.17,11]三氮杂-2,4,7,9,11(31),12,32-庚烯-14,26-二酮,8-羟基-,(1S,12Z)-(9CI)
英文名称:
6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione,8-hydroxy-, (1S,12Z)- (9CI)
分子式:
C28H36N4O4
分子量:
492.609847068787
植物源:

6-氧杂-15,20,24,27-四氮杂四环[13.9.6.22,5.17,11]三氮杂-2,4,7,9,11(31),12,32-庚烯-14,26-二酮,8-羟基-,(1S,12Z)-(9CI)(114622-14-9)名称与标识符

名称

英文别名:
6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione,8-hydroxy-, (1S,12Z)- (9CI);6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione,8-hydroxy-, (1S;(+)-Chaenorpine;6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione,8-hydroxy-, [S-(Z)]-;Chaenorpine;6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione, 8-hydroxy-, (1S,12Z)- (9CI);

标识符

InChIKey:
WTPFXNXOCATDNF-XWBWXGSQSA-N
Inchi:
1S/C28H36N4O4/c33-25-11-5-21-6-12-28(35)32-17-2-1-13-29-14-3-15-30-24(20-27(34)31-16-4-18-32)22-7-9-23(10-8-22)36-26(25)19-21/h5-12,19,24,29-30,33H,1-4,13-18,20H2,(H,31,34)/b12-6-/t24-/m0/s1
SMILES:
[C@@]12([H])CC(=O)NCCCN(CCCCNCCCN1)C(=O)C=CC1=CC(=C(O)C=C1)OC1C=CC2=CC=1 |c:22|

6-氧杂-15,20,24,27-四氮杂四环[13.9.6.22,5.17,11]三氮杂-2,4,7,9,11(31),12,32-庚烯-14,26-二酮,8-羟基-,(1S,12Z)-(9CI)(114622-14-9)物化性质

实验特性

  • PSA : 52.54
  • 沸点 : 771.3±60.0 °C(Predicted)
  • 酸度系数(pKa) : 9.16±0.20(Predicted)
  • 密度 : 1.25±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 272.08309