input word = C00013161

Metabolite InformationStructural formula
Name Rzedowskin A
5,7-bis(Acetyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyloxiranecarboxylic acid
Formula C28H36O10
Mw 532.23084737
CAS RN 117610-40-9
C_ID C00013161 ,
InChIKey BRKBLUGVYARNGW-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O10/c1-14(29)34-18-13-26(5,33)28-22(31)17(25(3,4)38-28)12-19(35-15(2)30)27(28,6)23(18)37-24(32)21-20(36-21)16-10-8-7-9-11-16/h7-11,17-23,31,33H,12-13H2,1-6H3/t17-,18+,19-,20-,21+,22+,23-,26-,27-,28+/m0/s1
SMILES [C@@H]12C[C@@H]([C@@]3([C@@]([C@@](C[C@H]([C@@H]3OC(=O)[C@@H]3O[C@H]3c3ccccc3)OC(=O)C)(C)O)(OC1(C)C)[C@@H]2O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeRzedowskia tolantonguensis Ref.
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