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 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3COC(C)(C)[C@@H](O)[C@H](O)C3)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela sinensis Ref.
PlantaeMeliaceaeXylocarpus granatum Ref.
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