input word = C00013143

Metabolite InformationStructural formula
Name Ejap 12
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,7,10-triacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol
Formula C30H38O12
Mw 590.23632668
CAS RN 122475-54-1
C_ID C00013143 ,
InChIKey FVDXCYHILANFNB-UHFFFAOYNA-N
InChICode InChI=1S/C30H38O12/c1-15-13-21(38-17(3)32)24(35)29(14-37-16(2)31)26(40-19(5)34)23(41-27(36)20-11-9-8-10-12-20)22-25(39-18(4)33)30(15,29)42-28(22,6)7/h8-12,15,21-26,35H,13-14H2,1-7H3/t15-,21+,22+,23-,24+,25-,26+,29+,30+/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)O)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
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