input word = C00042080

Metabolite InformationStructural formula
Name 24xi-Methylcholestanol
Formula C28H50O
Mw 402.38616622
CAS RN 17105-72-5
C_ID C00042080 ,
InChIKey ARYTXMNEANMLMU-CNBAELHUNA-N
InChICode InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)[C@H](C)CC[C@H](C(C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare L.cv Mammut Ref.
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