input word = C00057416

Metabolite InformationStructural formula
Name Peposterol
Formula C29H48O
Mw 412.37051615
CAS RN 50632-69-4
C_ID C00057416
InChIKey STLJXSQSUAPXFX-SGUBZQMTSA-N
InChICode InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeCucurbitaceaeCucurbita pepo Ref.
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OrganismHelianthus annuus
ReferenceHamberg, E.E. et al., Phytochemistry, 1973, 12, 1767 (isol)