input word = C00031287

Metabolite InformationStructural formula
Name Sapelin E acetate
Formula C32H48O6
Mw 528.34508926
CAS RN 639088-30-5
C_ID C00031287 ,
InChIKey DSJDMQKGNFHTBJ-KXLCJSIKNA-N
InChICode InChI=1S/C32H48O6/c1-18(33)38-26-16-24-28(2,3)25(35)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19-15-21(34)27(36)29(4,5)37-17-19/h10,12,14,19-21,23-24,26-27,34,36H,9,11,13,15-17H2,1-8H3/t19-,20+,21-,23-,24+,26-,27+,30+,31-,32+/m1/s1
SMILES C1=C[C@]2([C@H](C(C1=O)(C)C)C[C@H]([C@@]1([C@@H]2CC[C@@]2(C1=CC[C@H]2[C@@H]1C[C@H]([C@@H](C(OC1)(C)C)O)O)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela sinensis Ref.
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OrganismCedrela sinensis
ReferenceMitsui,Chem.Pharm.Bull.,55,(2007),1442