| Name |
Cerberoside |
| Formula |
C42H66O18 |
| Mw |
858.42491531 |
| CAS RN |
11005-70-2 |
| C_ID |
C00003610
, 
|
| InChIKey |
GZVMBXDQUQRICT-ORISORTBNA-N |
| InChICode |
InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20-,21+,22-,23+,24-,25-,26-,28+,29+,30-,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41-,42+/m1/s1 |
| SMILES |
COC1C(O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)OC(C)[C@@H]1O[C@@H]1OC(CO[C@@H]2OC(CO)[C@@H](O)C(O)C2O)[C@@H](O)[C@H](O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Cerbera odollam | Ref. |
| Plantae | Apocynaceae | Thevetia neriifolia | Ref. |
|
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