input word = C00033681

Metabolite InformationStructural formula
Name beta-Sitosterol palmitate
beta-Sitosteryl palmitate
Formula C45H80O2
Mw 652.6158318
CAS RN 2308-85-2
C_ID C00033681 ,
InChIKey IWTJDVBNIUPPPB-JAEZOCIVNA-N
InChICode InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@H](C(C)C)CC)C)C)OC(=O)CCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia pennatula Ref.
PlantaeFabaceaePiptadenia macrocarpa Ref.
PlantaeNymphaeaceaeNymphaea caerulea Ref.
PlantaePiperaceaePiper betle Ref.
PlantaePteridaceaePteris wallichiana Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
zoom in



OrganismPiptadenia macrocarpa
ReferenceMiyauchi,Mokuzai Gakkaishi,22,(1976),47