CHEBI:16850 - 1,2-dihydro-α-santonin

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ChEBI Name 1,2-dihydro-α-santonin ChEBI ID CHEBI:16850 ChEBI ASCII Name 1,2-dihydro-alpha-santonin Definition A naphthofuran obtained by selective hydrogenation of the 1,2-position of α-santonin. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20207, CHEBI:11154, CHEBI:502 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H20O3 Net Charge 0 Average Mass 248.31750 Monoisotopic Mass 248.14124 InChI InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1 InChIKey TYHGCPJCCQBRMP-BOCCBSBMSA-N SMILES [H][C@@]12CC[C@@]3(C)CCC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C ChEBI Ontology Outgoing 1,2-dihydro-α-santonin (CHEBI:16850) has functional parent α-santonin (CHEBI:16363) 1,2-dihydro-α-santonin (CHEBI:16850) is a naphthofuran (CHEBI:39270) IUPAC Name (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione Synonyms Sources (+)-1,2-dihydro-α-santonin ChEBI (+)-dihydro-α-santonin ChEBI 1,2-dihydro-α-santonin UniProt 1,2-Dihydro-alpha-santonin ChemIDplus 1,2-Dihydro-alpha-santonin KEGG COMPOUND 1,2-Dihydrosantonin KEGG COMPOUND dihydrosantonin ChEBI Manual Xrefs Databases C02771 KEGG COMPOUND LMPR0103190002 LIPID MAPS View more database links Registry Numbers Types Sources 18409-93-3 CAS Registry Number KEGG COMPOUND 18409-93-3 CAS Registry Number ChemIDplus 87738 Reaxys Registry Number Reaxys 87783 Beilstein Registry Number Beilstein Citations Types Sources 10783981 PubMed citation Europe PMC 3690421 PubMed citation Europe PMC Last Modified 19 October 2017