| Name |
Saponin PE |
| Formula |
C41H66O12 |
| Mw |
750.45542757 |
| CAS RN |
60213-69-6 |
| C_ID |
C00034217
, 
|
| InChIKey |
GXWUEMSASMVWKO-OOCXCFAXNA-N |
| InChICode |
InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)C)C)C(=O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Berberidaceae | Caulophyllum thalictroides L. Michx.  | Ref. |
|
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