| Name |
Esculentoside S
(+)-Esculentoside S |
| Formula |
C42H66O16 |
| Mw |
826.43508606 |
| CAS RN |
156031-83-3 |
| C_ID |
C00032949
, 
|
| InChIKey |
XPZGXZBKRPZWMJ-JCLRHUSSNA-N |
| InChICode |
InChI=1S/C42H66O16/c1-37(35(52)54-6)11-13-42(36(53)58-34-31(51)29(49)28(48)24(17-43)56-34)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(57-33-30(50)27(47)23(46)18-55-33)39(3,19-44)25(38)9-10-41(26,40)5/h7,21-34,43-51H,8-19H2,1-6H3/t21-,22-,23+,24+,25+,26+,27-,28-,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1 |
| SMILES |
[C@@H]12[C@@]([C@@H]3[C@@](CC2)([C@]2(C(=CC3)[C@H]3[C@](CC2)(C(=O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)CC[C@](C3)(C)C(=O)OC)C)C)(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca americana  | Ref. |
|
|
zoom in
| Organism | Phytolacca americana |
|---|
| Reference | Takahashi,Chem.Pharm.Bull.,49,(2001),246 |
|---|
|
