input word = C00024085

Metabolite InformationStructural formula
Name Celastranhydride
Formula C28H36O5
Mw 452.25627426
CAS RN 118075-30-2
C_ID C00024085 ,
InChIKey AFYNUVCDKLFCAU-RGPGMTOTNA-N
InChICode InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24-,25-,26+,27-,28+/m1/s1
SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=O)OC(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeKokoona zeylanica THW.(Celastraceae) Ref.
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OrganismKokoona zeylanica THW.(Celastraceae)
ReferenceGamlath,Tetrahedron Lett.,29,(1988),109-112

Gamlath,Phytochem.,29,(1990),3189-3192