input word = C00013177

Metabolite InformationStructural formula
Name Ejap 10
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol
Formula C28H36O10
Mw 532.23084737
CAS RN 122475-52-9
C_ID C00013177 ,
InChIKey UVVDUZUSIXBUAK-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O10/c1-15-12-13-20(35-17(3)30)27(14-34-16(2)29)24(37-25(33)19-10-8-7-9-11-19)22(32)21-23(36-18(4)31)28(15,27)38-26(21,5)6/h7-11,15,20-24,32H,12-14H2,1-6H3/t15-,20+,21-,22-,23+,24+,27-,28-/m0/s1
SMILES [C@@H]12[C@@H]([C@H]([C@]3([C@@]([C@H](CC[C@H]3OC(=O)C)C)(OC1(C)C)[C@@H]2OC(=O)C)COC(=O)C)OC(=O)c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
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