Products 463962-56-3

CAS 463962-56-3 appears in our catalog under these names: Simvastatin Acyl-β-D-glucuronide, 98%, Simvastatin Acyl-β-D-glucuronide, Simvastatin Acyl-b-D-glucuronide, Simvastatin Acyl-Beta-D-glucuronide, Simvastatin Acyl–β–D–glucuronide. Offered by: Chemat Brand, TRC, GLPBio, MedChemExpress. Available pack sizes: on request, 0,5mg, 5mg, 500μg, 1mg, 500 μg, 5 mg, 1 mg.

Simvastatin Acyl-β-D-glucuronide, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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Simvastatin Acyl-β-D-glucuronide
Chemat Brand, MedChemExpress
  • size: on request, 500 μg, 5 mg, 1 mg
  • Variants: 4
from 3700.52
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Simvastatin Acyl-b-D-glucuronide
TRC
  • size: 0,5mg
  • Variants: 1
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Simvastatin Acyl-Beta-D-glucuronide
TRC
  • size: 5mg
  • Variants: 1
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Simvastatin Acyl–β–D–glucuronide
GLPBio
  • size: 500μg, 1mg
  • Variants: 2
from 3278.97
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Structural formula: {0} (CAS {1})

(3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 463962-56-3) is a chemical compound with the molecular formula C31H48O12 and a molecular weight of 612.7 g/mol. IUPAC name: (3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: PBLYTKVVBICSHZ-AWTWTUOQSA-N.

Identity
Molecular formulaC31H48O12
Molecular weight612.7 g/mol
IUPAC name(3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyPBLYTKVVBICSHZ-AWTWTUOQSA-N
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O[C@@H]3C(C([C@H](C(O3)C(=O)O)O)O)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Simvastatin Acyl-beta-D-glucuronide