| Name |
Saponarioside J
(-)-Saponarioside J |
| Formula |
C53H82O24 |
| Mw |
1102.51960355 |
| CAS RN |
252736-88-2 |
| C_ID |
C00049747
, 
|
| InChIKey |
FFFZMPXSVRTZOW-LBFZCFJCNA-N |
| InChICode |
InChI=1S/C53H82O24/c1-48(2)13-15-53(47(69)77-45-40(66)41(76-44-39(65)36(62)33(59)26(19-55)73-44)34(60)27(74-45)21-71-42-38(64)35(61)32(58)25(18-54)72-42)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-43-37(63)31(57)24(56)20-70-43)52(6,46(67)68)29(49)9-12-51(28,50)5/h7-8,24-45,54-66H,9-21H2,1-6H3,(H,67,68)/t24-,25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45+,49-,50-,51-,52+,53+/m1/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(C(=O)O)[C@@H]2CC[C@]13C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Saponaria officinalis  | Ref. |
|
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