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Cholecalciferol-[d6]

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General Information
Catalog: BLP-011841
CAS: 118584-54-6
Molecular Formula: C27H38D6O
Molecular Weight: 390.67

Chemical Structure

Description	Cholecalciferol-[d6] is the labelled analogue of Cholecalciferol (Vitamin D3), which is the vitamin that mediates intestinal calcium absorption, bone calcium metabolism and probably, muscle activity.
Synonyms	Cholecalciferol D6; VD3-D6; Vitamin D3 (26,26,26,27,27,27-d6); Vitamin D3-d6; Cholecalciferol-26,26,26,27,27,27-d6; (3S,5Z,7E)-(26,26,26,27,27,27-d6)-9,10-Secocholesta-5,7,10-trien-3-ol; (3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol-d6; Cholecalciferol-d6; Delsterol-d6; Deparal-d6; Ebivit-d6; Oleovitamin D3-d6; Provitina-d6; Ricketon-d6; Videkhol-d6; Vigorsan-d6
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Related CAS	67-97-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([2H])([2H])[2H]
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i1D3,2D3
InChI Key	QYSXJUFSXHHAJI-HCXPDEKJSA-N
Purity	>95%
Solubility	Soluble in Acetone (Slightly), Chloroform (Sparingly), Ethanol (Slightly)
Appearance	White Solid
Storage	Store at -86°C under inert atmosphere