| Name |
Justicioside A |
| Formula |
C42H70O14 |
| Mw |
798.47655695 |
| CAS RN |
799267-08-6 |
| C_ID |
C00051093
|
| InChIKey |
XICRXNKRQJQDSB-FFYUTOHRNA-N |
| InChICode |
InChI=1S/C42H70O14/c1-37(2)10-12-42(19-53-36-33(31(51)29(49)24(18-44)55-36)56-35-32(52)30(50)28(48)23(17-43)54-35)13-11-39(5)20(21(42)16-37)14-22(45)34-40(39,6)9-8-25-38(3,4)26(46)15-27(47)41(25,34)7/h14,21-36,43-52H,8-13,15-19H2,1-7H3/t21-,22+,23+,24+,25-,26-,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,39+,40+,41+,42+/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Acanthaceae | Justicia betonica  | Ref. |
|
|
zoom in
| Organism | Justicia betonica |
|---|
| Reference | Kanchanapoom, et al., Phytochemistry, 65, (2004), 2613 |
|---|
|
