Products 514-76-1

CAS 514-76-1 is the registry number for Astacene. Offered by: MedChemExpress. Available pack sizes: Get quote.

Astacene
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Astacene is a carotenone that consists of beta,beta-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'. It derives from a hydride of a beta-carotene.

Source: ChEBI

Identity
Molecular formulaC40H48O4
Molecular weight592.8 g/mol
IUPAC name3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3,4-dioxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-dione
InChIKeyRASZIXQTZOARSV-QISQUURKSA-N
SMILESCC1=C(C(CC(=O)C1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(=O)CC2(C)C)C)\C)\C)/C)/C

Computed by PubChem (NCBI)

Synonyms: Astacin, Astacene, beta,beta-Carotene-3,3',4,4'-tetrone, 3,3'-Dihydroxy-2,3,2',3'-tetradehydro-beta,beta-carotene-4,4'-dione, ASTACIN [MI], RASZIXQTZOARSV-QISQUURKSA-N
Isomers (same molecular formula)
4-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene;1,4,7,10-tetraoxacyclododecane C40H48O4
6-hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H48O4

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