Name |
Gordonoside E (-)-Gordonoside E |
Formula |
C54H86O17 |
Mw |
1006.58650132 |
CAS RN |
946409-20-7 |
C_ID |
C00035633
,
|
InChIKey |
KQRYTIJIWAGUQB-FRKLZHJVNA-N |
InChICode |
InChI=1S/C54H86O17/c1-14-27(2)51(57)68-42-22-37-36(54(58)20-18-35(28(3)55)53(42,54)9)16-15-33-21-34(17-19-52(33,37)8)67-43-24-39(60-11)48(30(5)64-43)70-45-26-41(62-13)50(32(7)66-45)71-46-25-40(61-12)49(31(6)65-46)69-44-23-38(59-10)47(56)29(4)63-44/h14-15,29-32,34-50,56,58H,16-26H2,1-13H3/b27-14+/t29-,30-,31-,32-,34+,35-,36-,37+,38-,39+,40-,41+,42-,43+,44+,45+,46+,47-,48-,49-,50-,52+,53+,54+/m1/s1 |
SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)OC(=O)/C(=C/C)/C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)OC)C)OC)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apocynaceae | Hoodia gordonii | Ref. |
Plantae | Theaceae | Gordonia chrysandra | Ref. |
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zoom in
Organism | Gordonia chrysandra | Reference | Yu,J.Nat.Prod.,72,(2009),866 |
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