| Name |
Balanitin 6 |
| Formula |
C45H72O17 |
| Mw |
884.47695088 |
| CAS RN |
99661-97-9 |
| C_ID |
C00054914
|
| InChIKey |
OLAMGHNQGZIWHZ-WUTVBGSCSA-N |
| InChICode |
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1 |
| SMILES |
C[C@@]1([C@@]2([H])C[C@@]3([H])[C@]1([H])[C@@H]([C@@]4(O3)OC[C@H](CC4)C)C)CC[C@@]5([H])[C@@]2([H])CC=C([C@@]5(CC6)C)C[C@H]6O[C@H](O[C@@H]7CO)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@@H]7O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Zygophyllaceae | Balanites aegyptiaca  | Ref. |
|
|
zoom in
| Organism | Balanites aegyptiaca |
|---|
| Reference | Marker, R.E. et al., JACS, 1940, 62, 2548-2549
1947, 69, 2167-2230 (Trillarin, isol, struct) |
|---|
|
