| Name |
Senegin IV |
| Formula |
C81H122O39 |
| Mw |
1718.75632416 |
| CAS RN |
51005-46-0 |
| C_ID |
C00050304
, 
|
| InChIKey |
ARSZFSLDAVWWJY-QGOAFFKANA-N |
| InChICode |
InChI=1S/C81H122O39/c1-31-46(87)51(92)56(97)68(107-31)116-63-60(101)72(109-33(3)61(63)115-67-55(96)50(91)42(29-106-67)113-70-58(99)53(94)48(89)40(27-82)111-70)118-65-64(117-69-57(98)52(93)47(88)32(2)108-69)62(114-45(86)18-13-35-11-14-36(105-10)15-12-35)34(4)110-73(65)120-75(104)80-22-21-76(5,6)25-38(80)37-16-17-43-77(7)26-39(85)66(119-71-59(100)54(95)49(90)41(28-83)112-71)79(9,74(102)103)44(77)19-20-78(43,8)81(37,30-84)24-23-80/h11-16,18,31-34,38-44,46-73,82-85,87-101H,17,19-30H2,1-10H3,(H,102,103)/b18-13+/t31-,32+,33-,34-,38-,39+,40+,41-,42-,43-,44+,46-,47-,48-,49-,50+,51-,52-,53-,54-,55+,56-,57+,58-,59-,60+,61-,62-,63+,64+,65-,66+,67-,68-,69+,70+,71+,72+,73-,77-,78+,79-,80-,81+/m1/s1 |
| SMILES |
C1[C@H]2[C@@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@@]1(CC[C@H]1[C@@]2(C[C@@H]([C@@H]([C@@]1(C(=O)O)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)O)C)C)CO)C(=O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C)O[C@H]1OC[C@H]([C@@H]([C@@H]1O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)C)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C)OC(=O)/C=C/c1ccc(cc1)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala senega var.latifolia  | Ref. |
|
|
zoom in
| Organism | Polygala senega var.latifolia |
|---|
| Reference | Kako,J.Nat.Prod.,60,(1997),604 |
|---|
|
