| Name |
Tragopogonsaponin B |
| Formula |
C50H70O16 |
| Mw |
926.46638619 |
| CAS RN |
134361-65-2 |
| C_ID |
C00040528
, 
|
| InChIKey |
WXQNYXVJRJEBPT-RIPAYTLFNA-N |
| InChICode |
InChI=1S/C50H70O16/c1-45(2)20-21-50(44(61)66-43-40(35(55)29(52)24-62-43)64-34(54)15-10-25-8-11-26(51)12-9-25)28(22-45)27-13-14-31-47(5)18-17-33(63-42-38(58)36(56)37(57)39(65-42)41(59)60)46(3,4)30(47)16-19-48(31,6)49(27,7)23-32(50)53/h8-13,15,28-33,35-40,42-43,51-53,55-58H,14,16-24H2,1-7H3,(H,59,60)/b15-10+/t28-,29-,30-,31+,32+,33-,35-,36-,37-,38+,39-,40+,42+,43+,47-,48+,49+,50+/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tragopogon porrifolius  | Ref. |
|
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