Products 2260669-30-3

CAS 2260669-30-3 appears in our catalog under these names: 6αOH Chol ester-d7, 6 alphaoh (D7) chol ester. Offered by: MedChemExpress, Sigma-Aldrich. Available pack sizes: 5mg, 1mg.

Structural formula: {0} (CAS {1})

[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate (CAS 2260669-30-3) is a chemical compound with the molecular formula C45H80O3 and a molecular weight of 676.2 g/mol. IUPAC name: [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate. InChIKey: OHGMQSBHBDFULT-LPPPYZLNSA-N.

Identity
Molecular formulaC45H80O3
Molecular weight676.2 g/mol
IUPAC name[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
InChIKeyOHGMQSBHBDFULT-LPPPYZLNSA-N
SMILES[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)O)C)C([2H])([2H])[2H]

Computed by PubChem (NCBI)