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Menaquinone 7-[d7]

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General Information
Catalog: BLP-000298
CAS: 1233937-31-9
Molecular Formula: C46H61D3O2
Molecular Weight: 656.04

Chemical Structure

Synonyms	Menaquinone-7-(5,6,7,8-d4,2-methyl-d3); Vitamin K2 (MK-7)-(5,6,7,8-d4,2-methyl-d3)
IUPAC Name	5,6,7,8-tetradeuterio-2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-(trideuteriomethyl)naphthalene-1,4-dione
Related CAS	2124-57-4 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[2H])[2H]
Canonical SMILES	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChI	InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+/i9D3,10D,11D,30D,31D
InChI Key	RAKQPZMEYJZGPI-HRQALKRPSA-N
Melting Point	54 °C
Purity	≥95% (CP); ≥98% atom D
Solubility	Soluble in Chloroform, DMSO
Appearance	Yellow to Orange Semi Solid
Storage	Store at -20°C, under inert atmosphere