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CHEBI:16850 - 1,2-dihydro-α-santonin

Default Structure
ChEBI IDCHEBI:16850
ChEBI Name1,2-dihydro-α-santonin
Stars
ASCII Name1,2-dihydro-alpha-santonin
DefinitionA naphthofuran obtained by selective hydrogenation of the 1,2-position of α-santonin.
Secondary ChEBI IDsCHEBI:502, CHEBI:11154, CHEBI:20207
Last Modified19 October 2017
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12CC[C@@]3(C)CCC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C
InChIInChI=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
InChIKeyTYHGCPJCCQBRMP-BOCCBSBMSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
1,2-Dihydro-alpha-santoninKEGG COMPOUND
1,2-Dihydro-alpha-santoninChemIDplus
1,2-DihydrosantoninKEGG COMPOUND
(+)-1,2-dihydro-α-santoninChEBI
dihydrosantoninChEBI
(+)-dihydro-α-santoninChEBI
UniProt Name  Source
1,2-dihydro-α-santoninUniProt
Manual XrefsDatabases
C02771KEGG COMPOUND
LMPR0103190002LIPID MAPS
Registry NumbersSources
Reaxys:87738Reaxys
Beilstein:87783Beilstein
CAS:18409-93-3ChemIDplus
CAS:18409-93-3KEGG COMPOUND
Citations