input word = C00036256

Metabolite InformationStructural formula
Name 24-epi-Secasterone
Formula C28H46O4
Mw 446.33960996
CAS RN 167075-97-0
C_ID C00036256 ,
InChIKey WDGGOKUICSKRHH-COKPZGKINA-N
InChICode InChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23-,24+,25-,26-,27+,28-/m1/s1
SMILES CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeLychnis viscaria L. Ref.
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