input word = C00051171

Metabolite InformationStructural formula
Name Kupitengester 4
Formula C28H36O9
Mw 516.23593275
CAS RN 132185-62-7
C_ID C00051171
InChIKey DHRWDAIABCKZRO-UUGFDJEZNA-N
InChICode InChI=1S/C28H36O9/c1-16-12-13-22(36-25(32)20-10-8-7-9-11-20)27(15-33-17(2)29)24(35-19(4)31)23(34-18(3)30)21-14-28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23+,24-,27+,28+/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)CC[C@@H](C)[C@@]13C[C@@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)C(C)(C)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus angulatus Ref.
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OrganismCelastrus angulatus
ReferenceWang, et al., Zhiwu Xuebao, 34, (1992), 777