input word = C00012776

Metabolite InformationStructural formula
Name [1R-(1alpha,2alpha,4aalpha,5alpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid
Formula C24H32O3
Mw 368.23514489
CAS RN 77355-61-4
C_ID C00012776 ,
InChIKey PJJFRVBMYOIECO-VZECQTJDNA-N
InChICode InChI=1S/C24H32O3/c1-16(2)19-14-15-24(4)20(25)12-10-17(3)22(24)23(19)27-21(26)13-11-18-8-6-5-7-9-18/h5-11,13,16,19-20,22-23,25H,12,14-15H2,1-4H3/b13-11+/t19-,20+,22+,23+,24-/m0/s1
SMILES C1(=CC[C@H]([C@]2([C@H]1[C@@H]([C@@H](CC2)C(C)C)OC(=O)/C=C/c1ccccc1)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago nemoralis Ref.
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