input word = C00055526

Metabolite InformationStructural formula
Name 23-Dehydro-2-epicastasterone
Formula C28H46O5
Mw 462.33452458
CAS RN 934587-27-6
C_ID C00055526
InChIKey SCDXIDQUJYNCEN-BLFILFEGSA-N
InChICode InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,26,29,32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,26+,27+,28+/m0/s1
SMILES CC(C)[C@H](C)C(=O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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OrganismPhaseolus vulgaris
ReferenceYokota, T. et al., Agric. Biol. Chem., 1983, 47, 2149 (isol)