input word = C00013142

Metabolite InformationStructural formula
Name Ejap 5
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
Formula C32H40O13
Mw 632.24689137
CAS RN 60389-91-5
C_ID C00013142 ,
InChIKey CQFLWUBGIUDNJS-UHFFFAOYNA-N
InChICode InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(41-19(4)35)31(15-39-17(2)33)28(43-21(6)37)25(44-29(38)22-12-10-9-11-13-22)24-27(42-20(5)36)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3/t16-,23+,24+,25+,26-,27-,28-,31-,32+/m0/s1
SMILES O1[C@]23[C@]([C@H]([C@@H]([C@@H](C1(C)C)[C@@H]3OC(=O)C)OC(=O)c1ccccc1)OC(=O)C)([C@H]([C@@H](C[C@@H]2C)OC(=O)C)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus europaeus Ref.
PlantaeCelastraceaeEuonymus japonicus Ref.
PlantaeCelastraceaeEuonymus latifolius Ref.
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OrganismEuonymus japonicus
ReferenceSugiura,Tetrahedron,38,(1982),3465

Begley,J.Chem.Soc.Perkin Trans.,1,(1986),535

Rozsa,J.Chem.Soc.Perkin Trans.,1,(1989),1079

Rozsa,J.Chem.Soc.Perkin Trans.,1,(1989),1089