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Simvastatin-d11 (2,2-dimethylbutyrate-d11), CDN

Artikelnummer. 30324804
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Artikelnummer. 30324804 Leverandør CDN Leverandørnr. CDND80150.005G

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Tekniske data

Kemisk navn eller materiale Simvastatin-D11 (2,2-dimethylbutanoate-D11)
CAS 1002347-74-1
Molekylær formel C25 D11 H27 O5
Mængde 0.005 g
Synonym Butanoic-3,3,4,4,4-d5 acid, 2,2-di(methyl-d3)-, (1 S,3 R,7 S,8 S,8 aR)-1,2,3,7,8,8 A-hexahydro-3,7-dimethyl-8-[2-[(2 R,4 R)-tetrahydro-4-hydroxy-6-oxo-2 H-pyran-2-yl]ethyl]-1-naphthalenyl ester (ACI), (1 S,3 R,7 S,8 S,8 aR)-1,2,3,7,8,8 A-Hexahydro-3,7-dimethyl-8-[2-[(2 R,4 R)-tetrahydro-4-hydroxy-6-oxo-2 H-pyran-2-yl]ethyl]-1-naphthalenyl 2,2-di(methyl-d3)butanoate-3,3,4,4,4-d5 (ACI), Simvastatin-d11, Simvastatin-D11 (2,2-dimethylbutanoate-D11)
InChI formel InChI=1 S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26 H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1/i1D3,4D3,5D3,6D2
SMIL [2 H]C([2 H])([2 H])C([2 H])([2 H])C(C(=O)O[C@H]1 C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3 C[C@@H](O)CC(=O)O3)[C@@H]12)(C([2 H])([2 H])[2 H])C([2 H])([2 H])[2 H]
IUPAC navn [(1 S,3 R,7 S,8 S,8 aR)-8-[2-[(2 R,4 R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8 A-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate
Molekylvægt (g/mol) 429.634
Formel vægt 429.341 g/mol
Procent renhed 98 atom % D, min 97% Chemical Purity
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