input word = C00012948

Metabolite InformationStructural formula
Name Rudbeckiolide
[3aR-[3aalpha,4abeta,7beta,9aalpha,10R*(3'aR*,5'S*,8'aR*,9'aR*)]]-3a,3'a,5',6',7,7',8',8'a,9,9',9a,9'a-Dodecahydro-5,5',8,8'a-tetramethyl-3-methylenespiro[4H-4a,7-ethanoazuleno[6,5-b]furan-10,3'(2'H)-naphtho[2,3-b]furan]-2,2'(3H)-dione
Formula C30H36O4
Mw 460.26135964
CAS RN 102260-72-0
C_ID C00012948 ,
InChIKey VTYHWQDFBOOIRA-KUPWQZSXNA-N
InChICode InChI=1S/C30H36O4/c1-15-7-6-8-28(5)13-24-21(11-20(15)28)30(27(32)34-24)14-29-12-19-18(4)26(31)33-23(19)9-16(2)25(29)22(30)10-17(29)3/h10-11,15,19,21-24H,4,6-9,12-14H2,1-3,5H3/t15-,19+,21-,22+,23+,24+,28+,29-,30-/m0/s1
SMILES [C@@H]12[C@@H](CC(=C3[C@]4(C1)C(=C[C@H]3[C@]1(C(=O)O[C@H]3[C@@H]1C=C1[C@@](C3)(CCC[C@@H]1C)C)C4)C)C)OC(=O)C2=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRudbeckia laciniata Ref.
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OrganismRudbeckia laciniata
ReferenceJakupovic,Justus Liebigs Ann.Chem.,(1986),1474