input word = C00058024

Metabolite InformationStructural formula
Name Triticusterol
Formula C29H48O
Mw 412.37051615
CAS RN 224566-30-7
C_ID C00058024
InChIKey QLDNWJOJCDIMKK-WHEMHEAOSA-N
InChICode InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeTriticum aestivum Ref.
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OrganismTriticum aestivum
ReferenceBarton, D.H.R. et al., Chem. Comm., 1968, 17 (isol)