β,β-Carotin-4-on

Echinenone

HCID 5281236CAS 432-68-8
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Grundinformationen

Standard-SMILES
CC1=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)CCC2(C)C)C(C)(C)CCC1
InChIKey
QXNWZXMBUKUYMD-QQGJMDNJSA-N
Summenformel
C40H54O
Durchschnittliche Molmasse
550,9 g/mol
Monoisotopische Masse
550,41746635

Überblick

Echinenone is a carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. It has a role as a cofactor, an animal metabolite, a marine metabolite and a bacterial metabolite. It derives from a hydride of a beta-carotene.

Namen und Bezeichner

Bevorzugter Name
Echinenone
IUPAC
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
Lokaler Name
β,β-Carotin-4-on
Englischer Name
Echinenone
Summenformel
C40H54O
Molmasse
550.86

Namen und Synonyme

Echinenone432-68-8all-trans-Echinenoneaphaninmyoxanthin4-oxo-beta-carotene4-keto-beta-caroteneLJ5IO02MNQ2,4,4-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-oneCHEBI:4746DTXSID101026555beta-Echinenone
Weitere Namen anzeigen
Einecs 207-083-4β,β-Caroten-4-one?,?-caroten-4-oneEchinenone (In Solution)9-cis-β,β-Carotene-4-one9'-cis-β,β-Carotene-4-one
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-oneRefChem:920807DTXCID90911095207-083-4beta,beta-Caroten-4-oneEchinenone (Technical Grade).beta.,.beta.-Caroten-4-oneUNII-LJ5IO02MNQ

Datenbank-Bezeichner

CAS
432-68-8
PubChem CID
5281236
DTXSID
DTXSID101026555
ChEBI
CHEBI:4746
UNII
LJ5IO02MNQ
EC Number
207-083-4
Nikkaji
J11.386G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
12,5
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
10
Schwere Atome
41

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]

Physikochemische Eigenschaften

Schmelzpunkt
178 · 178-180°
Siedepunkt
685.3 · 685.3±25.0 °C(Predicted)
Dichte
0.972 · 0.972±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
Löslichkeit
Chloroform (Slightly), Diethyl Ether (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenEchinenone may be used as an external standard for the extraction of carotenoid from plasma samples. It may also been used as an internal standard, added to samples for extraction and quantification.

Anbieter15 Anbieter

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
上海纽雀客生物科技有限公司13916276291 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates.

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