| Name |
Tragopogonsaponin H |
| Formula |
C56H80O21 |
| Mw |
1088.51920962 |
| CAS RN |
134522-27-3 |
| C_ID |
C00040534
, 
|
| InChIKey |
QZHICJNADLHUTJ-XNTDXEJSNA-N |
| InChICode |
InChI=1S/C56H80O21/c1-51(2)20-21-56(50(70)77-49-45(74-36(61)15-10-26-8-11-27(58)12-9-26)43(30(59)25-71-49)75-47-41(66)38(63)37(62)31(24-57)72-47)29(22-51)28-13-14-33-53(5)18-17-35(73-48-42(67)39(64)40(65)44(76-48)46(68)69)52(3,4)32(53)16-19-54(33,6)55(28,7)23-34(56)60/h8-13,15,29-35,37-45,47-49,57-60,62-67H,14,16-25H2,1-7H3,(H,68,69)/b15-10+/t29-,30+,31+,32-,33-,34+,35+,37-,38-,39+,40+,41+,42-,43+,44+,45+,47-,48+,49+,53+,54+,55+,56+/m1/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)/C=C/c1ccc(cc1)O)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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