Products 19485-83-7

CAS 19485-83-7 is the registry number for Cholesteryl 11(E)-vaccenate. Offered by: MedChemExpress. Available pack sizes: Get quote.

Cholesteryl 11(E)-vaccenate
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Structural formula: {0} (CAS {1})

Cholesteryl octadeca-9,12-dienoate is a cholesteryl octadecadienoate.

Source: ChEBI

Identity
Molecular formulaC45H76O2
Molecular weight649.1 g/mol
IUPAC name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,12E)-octadeca-9,12-dienoate
InChIKeyNAACPBBQTFFYQB-VTXJRSQISA-N
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

Computed by PubChem (NCBI)

Synonyms: Cholesteryl 11(E)-Vaccenate, Cholesteryl 9,12-octadecadienoate, cholesteryl octadeca-9,12-dienoate, orb3177968, (3beta)-cholest-5-en-3-yl octadeca-9,12-dienoate
Related forms of this compound
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate C45H76O2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate C45H76O2
Isomers (same molecular formula)
[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate C45H76O2
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)hept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate C45H76O2

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