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CHEBI:175446 - Bakkenolide C

ChEBI IDCHEBI:175446
ChEBI NameBakkenolide C
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FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILES[H][C@]12[C@@H](OC(=O)/C(C)=C\C)CC[C@H](C)[C@@]1(C)C[C@@]1(C(=C)COC1=O)[C@@H]2O
InChIInChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6-/t12-,14-,15+,16+,19+,20+/m0/s1
InChIKeyKVPXGWXTEOVUGO-HKTLJSNGSA-N
ChEBI Ontology
Outgoing Relation(s)
Bakkenolide C (CHEBI:175446) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate
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9327352ChemSpider