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CHEBI:35327 - astacene

ChEBI IDCHEBI:35327
ChEBI Nameastacene
Stars
DefinitionA carotenone that consists of β,β-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'.
Last Modified13 April 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H48O4
Net Charge0
Average Mass592.820
Monoisotopic Mass592.35526
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(=O)CC2(C)C)C(C)(C)CC(=O)C1=O
InChIInChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKeyRASZIXQTZOARSV-QISQUURKSA-N
ChEBI Ontology
Outgoing Relation(s)
astacene (CHEBI:35327) has parent hydride β-carotene (CHEBI:17579)
astacene (CHEBI:35327) is a carotenone (CHEBI:35310)
IUPAC Name 
β,β-carotene-3,3',4,4'-tetrone
Synonym  Source
astacinChemIDplus
Registry NumbersSources
Reaxys:2032712Reaxys
CAS:514-76-1ChemIDplus
Citations