| Name |
Cesdiurin III |
| Formula |
C46H76O21 |
| Mw |
964.48790949 |
| CAS RN |
1071987-38-6 |
| C_ID |
C00029924
, 
|
| InChIKey |
QMNINOGDSJIPEQ-FUDBADCVNA-N |
| InChICode |
InChI=1S/C46H76O21/c1-18(17-61-41-36(57)33(54)30(51)25(14-47)63-41)8-11-46(60-5)19(2)28-40(67-46)32(53)29-21-7-6-20-12-24(23(50)13-45(20,4)22(21)9-10-44(28,29)3)62-42-38(59)35(56)39(27(16-49)65-42)66-43-37(58)34(55)31(52)26(15-48)64-43/h6,18-19,21-43,47-59H,7-17H2,1-5H3/t18-,19+,21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40-,41-,42-,43+,44+,45+,46-/m1/s1 |
| SMILES |
CO[C@]1(CCC(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Cestrum diurnum L | Ref. |
|
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