input word = C00036261

Metabolite InformationStructural formula
Name 2-Epicastasterone
Formula C28H48O5
Mw 464.35017464
CAS RN 121468-14-2
C_ID C00036261 ,
InChIKey VYUIKSFYFRVQLF-CYFGFIJUNA-N
InChICode InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24-,25+,26+,27-,28+/m0/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](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris L. Ref.
zoom in