input word = C00038299

Metabolite InformationStructural formula
Name 6alpha-Hydroxystigmast-4-en-3-one
Formula C29H48O2
Mw 428.36543078
CAS RN 75686-40-7
C_ID C00038299 ,
InChIKey IWNCBADONFSAAW-KGJQBROZNA-N
InChICode InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28-,29-/m1/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](C[C@@H]2O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC[C@@H](CC)C(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus alatus Ref.
PlantaeRutaceaeZanthoxylum wutaiense Ref.
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OrganismZanthoxylum wutaiense
ReferenceHuang,J.Nat.Prod.,71,(2008),1146