input word = C00049121

Metabolite InformationStructural formula
Name Acetyl-beta-sitosterol
beta-Sitosterol acetate
Formula C31H52O2
Mw 456.3967309
CAS RN 915-05-9
C_ID C00049121 ,
InChIKey PBWOIPCULUXTNY-JCHLCHBENA-N
InChICode InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia leucophloea Ref.
PlantaeFabaceaeCassia nigricans Ref.
PlantaeMeliaceaeEkebergia pterophylla Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismAcacia leucophloea
ReferenceAldrich Library of FT-IR Spectra,1st edn.,2,(1985),1048C