Products 2213-17-4

CAS 2213-17-4 is the registry number for 4-Hydroxyechinenone. Offered by: MedChemExpress. Available pack sizes: Get quote.

4-Hydroxyechinenone
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

4'-hydroxyechinenone is a member of the class of carotenone that is echinenone carrying an additional hydroxy substituent at position 4'. It is a carotenone, a secondary alcohol and an enone. It is functionally related to an echinenone.

Source: ChEBI

Identity
Molecular formulaC40H54O2
Molecular weight566.9 g/mol
IUPAC name3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
InChIKeyRONAGRFBGGXGHB-DKLMTRRASA-N
SMILESCC1=C(C(CCC1O)(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(=O)CCC2(C)C)C)/C)/C

Computed by PubChem (NCBI)

Synonyms: 4'-Hydroxyechinenone, 4-Hydroxyechinenone, orb3141932, 4-Keto-4'-hydroxy-I(2)-carotene, 4'-Hydroxy-beta,beta-caroten-4-one
Isomers (same molecular formula)
(4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-one C40H54O2
3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H54O2
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol C40H54O2
(6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one C40H54O2

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