input word = C00024071

Metabolite InformationStructural formula
Name 25-O-Acetyl-7,8-didehydrocimigenol
Formula C32H48O6
Mw 528.34508926
CAS RN 150972-73-9
C_ID C00024071 ,
InChIKey VWKXWHFAFDZMEM-CVLKFSJCNA-N
InChICode InChI=1S/C32H48O6/c1-17-15-19-24(27(5,6)36-18(2)33)38-32(37-19)23(17)28(7)13-14-31-16-30(31)12-11-22(34)26(3,4)20(30)9-10-21(31)29(28,8)25(32)35/h10,17,19-20,22-25,34-35H,9,11-16H2,1-8H3/t17-,19?,20+,22+,23-,24+,25-,28-,29-,30-,31+,32-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1(C(=CC2)[C@]2([C@](CC1)([C@@H]1[C@]4([C@@H]2O)O[C@@H]([C@@H](C[C@H]1C)O4)C(C)(C)OC(=O)C)C)C)C3)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga heracleifolia KOMAROV Ref.
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