input word = C00013009

Metabolite InformationStructural formula
Name Isosilerolide
[3S-[3alpha(Z),3aalpha,5aalpha,6beta,9abeta,9balpha]]-6-(Acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-3-yl ester 2-methyl-2-butenoic acid
Formula C22H30O6
Mw 390.20423869
CAS RN 85643-91-0
C_ID C00013009 ,
InChIKey TURJFYBHQNTMCA-DCCJJXOYNA-N
InChICode InChI=1S/C22H30O6/c1-7-12(2)19(24)28-22(6)15-10-11-21(5)16(26-14(4)23)9-8-13(3)17(21)18(15)27-20(22)25/h7-8,15-18H,9-11H2,1-6H3/b12-7-/t15-,16-,17+,18-,21-,22+/m1/s1
SMILES [C@@H]1([C@@]2([C@@H](C(=CC1)C)[C@H]1[C@@H](CC2)[C@](C(=O)O1)(C)OC(=O)/C(=C\C)/C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium siler Ref.
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OrganismLaserpitium siler
ReferenceHolub,Collect.Czech.Chem.Commun.,35,(1970),3296

Holub,Collect.Czech.Chem.Commun.,38,(1973),1804

Holub,Tetrahedron Lett.,25,81982),4853

Holub,Tetrahedron Lett.,25,81984),3755

Smitalova,Collect.Czech.Chem.Commun.,51,(1986),1323