input word = C00057014

Metabolite InformationStructural formula
Name Secasterol
Formula C28H46O3
Mw 430.34469533
CAS RN 130549-19-8
C_ID C00057014
InChIKey MJVCJGGOYKSADY-CYBZVILGSA-N
InChICode InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)20-10-11-21-19-15-24(29)23-9-7-8-13-27(23,5)22(19)12-14-28(20,21)6/h7-8,16-23,25-26,30-31H,9-15H2,1-6H3/t17-,18-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
SMILES [H][C@]12[C@]3([H])CC([C@@]4([H])CC=CC[C@]4(C)[C@@]3([H])CC[C@]1(C)[C@@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)CC2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSecale cereale seeds Ref.
zoom in