input word = C00027131

Metabolite InformationStructural formula
Name Bis-cephalezomine A
Biscephalezomine A
Formula C57H72N2O19
Mw 1088.47292814
CAS RN 769120-40-3
C_ID C00027131 ,
InChIKey VHNHMAJJJNEADY-WXUDIWSJNA-N
InChICode InChI=1S/C57H72N2O19/c1-52(2,65)13-9-14-56(67,27-43(60)71-7)50(63)77-47-41(69-5)25-54-15-10-36(58(54)18-11-31-20-37-39(75-29-73-37)22-33(31)45(47)54)35-24-55-26-42(70-6)48(78-51(64)57(68,28-44(61)72-8)17-16-53(3,4)66)46(55)34-23-40-38(74-30-76-40)21-32(34)12-19-59(55)49(35)62/h20-23,25-26,35-36,45-48,65-68H,9-19,24,27-30H2,1-8H3/t35-,36-,45+,46+,47+,48+,54?,55?,56+,57+/m0/s1
SMILES COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23C[C@@H]([C@@H]4CC[C@]56C=C(OC)[C@@H](OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)[C@H]5c5cc7c(cc5CCN46)OCO7)C(=O)N2CCc2cc4c(cc2[C@H]13)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCephalotaxaceaeCephalotaxus harringtonia Ref.
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OrganismCephalotaxus harringtonia
ReferenceYoshinaga,Tetrahedron,60,(2004),7861