| Name |
Balanitin 4 |
| Formula |
C51H82O22 |
| Mw |
1046.52977431 |
| CAS RN |
139404-34-5 |
| C_ID |
C00054912
|
| InChIKey |
XJOTXMLDNWCDRH-YQTWOTKZSA-N |
| InChICode |
InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(72-45-38(60)36(58)33(55)22(3)65-45)40(62)42(31(18-54)69-48)70-47-41(63)43(35(57)30(17-53)68-47)71-46-39(61)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38+,39+,40-,41+,42+,43-,44+,45-,46-,47-,48+,49-,50-,51+/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]%10[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O%10)[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) |
|---|
|
