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 [C@@H]12[C@@H](C[C@H]3[C@](C1)([C@@H]1[C@@H](CC3=O)[C@H]3[C@@](CC1)([C@H](CC3)[C@@H]([C@H]([C@@H]([C@H](C)C(C)C)O)O)C)C)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeLychnis viscaria L. Ref.
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