| Name |
Oleanoglycotoxin-A |
| Formula |
C48H78O18 |
| Mw |
942.51881569 |
| CAS RN |
50657-29-9 |
| C_ID |
C00003537
, 
|
| InChIKey |
TYICKMXQSIBGGU-HUZXJKOINA-N |
| InChICode |
InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO)[C@@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)[C@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)C6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca dodecandra  | Ref. |
|
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