input word = C00022358

Metabolite InformationStructural formula
Name 8alpha,12R-Epoxy-13E-labden-1beta,11alpha-diol
Formula C20H34O3
Mw 322.25079495
CAS RN 104189-12-0
C_ID C00022358 ,
InChIKey SPDBGHVIBJGSPV-DASCSIGJNA-N
InChICode InChI=1S/C20H34O3/c1-7-12(2)16-15(22)17-19(5,23-16)11-8-13-18(3,4)10-9-14(21)20(13,17)6/h7,13-17,21-22H,8-11H2,1-6H3/b12-7+/t13-,14+,15+,16+,17-,19+,20+/m0/s1
SMILES C1CC([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@](CC2)(O[C@@H]([C@H]1O)/C(=C/C)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeScapania undulata Ref.
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OrganismScapania undulata
ReferenceHuneck,J. Chem. Res. (S),(1986),162