| Name |
Tragopogonsaponin J |
| Formula |
C57H84O22 |
| Mw |
1120.54542437 |
| CAS RN |
134361-70-9 |
| C_ID |
C00040535
, 
|
| InChIKey |
KGBRFKGPHZOVCQ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C57H84O22/c1-52(2)19-20-57(51(71)79-50-46(76-37(62)14-10-26-9-12-29(59)31(21-26)72-8)44(30(60)25-73-50)77-48-42(67)39(64)38(63)32(24-58)74-48)28(22-52)27-11-13-34-54(5)17-16-36(75-49-43(68)40(65)41(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)61/h9,11-12,21,28,30,32-36,38-46,48-50,58-61,63-68H,10,13-20,22-25H2,1-8H3,(H,69,70)/t28-,30+,32+,33+,34-,35+,36-,38-,39-,40+,41+,42+,43-,44+,45-,46-,48-,49-,50-,54-,55-,56-,57-/m0/s1 |
| SMILES |
C1[C@@H](C([C@@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2(C(=CC1)[C@H]1[C@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)OC(=O)CCc1cc(c(cc1)O)OC)C)C)C)(C)C)O[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tragopogon porrifolius  | Ref. |
|
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