input word = C00039595

Metabolite InformationStructural formula
Name Kotschyin B
(-)-Kotschyin B
Formula C40H52O16
Mw 788.32553562
CAS RN 926896-45-9
C_ID C00039595 ,
InChIKey LEUHUAIWOZIKKL-JQMSQHMJNA-N
InChICode InChI=1S/C40H52O16/c1-20(2)30(46)52-32-39-26(17-28(45)48-11)33(6,29(50-21(3)41)24-12-15-49-18-24)13-14-37(39)35(8)25(16-27(44)47-10)34(7)19-38(35,55-36(9,54-37)56-39)40(32,53-23(5)43)31(34)51-22(4)42/h12,15,18,20,25-26,29,31-32H,13-14,16-17,19H2,1-11H3/t25-,26+,29-,31-,32-,33+,34+,35-,36+,37-,38+,39+,40-/m0/s1
SMILES COC(=O)C[C@@H]1[C@](C)([C@@H](OC(C)=O)c2ccoc2)CC[C@]23OC4(C)OC56CC(C)([C@H](CC(=O)OC)C52C)[C@H](OC(C)=O)[C@]6(OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]13O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaePseudocedrela kotschyi Ref.
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OrganismPseudocedrela kotschyi
ReferenceHay,J.Nat.Prod.,70,(2007),9