input word = C00044439

Metabolite InformationStructural formula
Name 3-Acetyl-24-epi-polacandrin
(-)-3-Acetyl-24-epi-polacandrin
Formula C32H54O6
Mw 534.39203946
CAS RN 651025-45-5
C_ID C00044439 ,
InChIKey RBYRZIJOZWZKMC-YKZBXGJENA-N
InChICode InChI=1S/C32H54O6/c1-18(33)37-25-17-23(35)32(9)21(27(25,2)3)11-14-29(6)22(32)16-20(34)26-19(10-13-30(26,29)7)31(8)15-12-24(38-31)28(4,5)36/h19-26,34-36H,10-17H2,1-9H3/t19-,20+,21-,22-,23+,24+,25+,26-,29+,30+,31-,32-/m0/s1
SMILES CC(=O)O[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMartyniaceaeIbicella lutea Ref.
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