| Name |
Echinocystic acid 3-O-sulfate |
| Formula |
C30H48O7S |
| Mw |
552.31207462 |
| CAS RN |
99633-27-9 |
| C_ID |
C00030164
, 
|
| InChIKey |
PEYMPFXFOUIQGT-KREFJFLPNA-N |
| InChICode |
InChI=1S/C30H48O7S/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36)/t19-,20-,21+,22+,23-,27-,28+,29+,30+/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
|
zoom in
| Organism | Bupleurum rotundifolium |
|---|
| Reference | Fujioka,Chem.Pharm.Bull.,54,(2006),1694 |
|---|
|
