Vitamin D3
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Category | Raw Materials of Healthcare Products |
Catalog number | BBF-05875 |
CAS | 67-97-0 |
Molecular Weight | 384.64 |
Molecular Formula | C27H44O |
Purity | >98% |
Online Inquiry
Description
Cholecalciferol is a naturally occurring form of vitamin D which is obtained from dietary sources, such as fish, or through the conversion of 7-dehydrocholesterol by ultraviolet light. It is subsequently metabolized to 25-hydroxyvitamin D3 and the active form 1,25-dihydroxyvitamin D3 by cytochrome P450 isoforms in the liver. It could prevent proliferation of cancer cells.
Vitamin supplement in health care products.
Specification
Synonyms | (3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol; Cholecalciferol; Duphafral D3 1000; Delsterol; Deparal; Ebivit; Oleovitamin D3; Provitina; Ricketon; Vi-De3; Videkhol; Vigorsan; Vitinc Dan-Dee-3; Colecalciferol |
Storage | Store at -86°C under inert atmosphere |
IUPAC Name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
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 |
InChI Key | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
Properties
Appearance | White to Off-White Solid |
Application | Ingredient of health care products. |
Boiling Point | 496.4±24.0°C at 760 mmHg |
Melting Point | 70-79 °C |
Density | 1.0±0.1 g/cm3 |
Solubility | Soluble in Acetone (Slightly), Chloroform (Sparingly), Ethanol (Slightly), Ethyl Acetate (Slightly) |
LogP | 7.5 |
Toxicity
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | The first step involved in the activation of vitamin D3 is a 25-hydroxylation which is catalysed by the 25-hydroxylase in the liver and then by other enzymes. The mitochondrial sterol 27-hydroxylase catalyses the first reaction in the oxidation of the side chain of sterol intermediates. The active form of vitamin D3 (calcitriol) binds to intracellular receptors that then function as transcription factors to modulate gene expression. Like the receptors for other steroid hormones and thyroid hormones, the vitamin D receptor has hormone-binding and DNA-binding domains. The vitamin D receptor forms a complex with another intracellular receptor, the retinoid-X receptor, and that heterodimer is what binds to DNA. In most cases studied, the effect is to activate transcription, but situations are also known in which vitamin D suppresses transcription. Calcitriol increases the serum calcium concentrations by: increasing GI absorption of phosphorus and calcium, increasing osteoclastic resorption, and increasing distal renal tubular reabsorption of calcium. Calcitriol appears to promote intestinal absorption of calcium through binding to the vitamin D receptor in the mucosal cytoplasm of the intestine. Subsequently, calcium is absorbed through formation of a calcium-binding protein. |
Reference Reading
Spectrum
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Experimental Conditions
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C27H44O
Molecular Weight (Monoisotopic Mass): 384.3392 Da
Molecular Weight (Avergae Mass): 384.6377 Da
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C27H44O
Molecular Weight (Monoisotopic Mass): 384.3392 Da
Molecular Weight (Avergae Mass): 384.6377 Da
1H NMR Spectrum
Experimental Conditions
Solvent: CDCl3
Sample Mass: 12.0 mg
Sample Assessment: Excellent
Spectrum Assessment: Excellent
Instrument Type: Bruker
Nucleus: 1H
Frequency: 600 MHz
Sample pH: Not Applic
Sample Temperature: 25.0 Celsius
Chemical Shift Reference: TMS
[1H,13C] 2D NMR Spectrum
Experimental Conditions
Solvent: CDCl3
Sample Mass: 12.0 mg
Sample Assessment: Excellent
Spectrum Assessment: Excellent
Instrument Type: Bruker
Nucleus X: 1H
Nucleus Y: 13C
Frequency: 600 MHz
Sample pH: Not Applic
Sample Temperature: 25.0 Celsius
Chemical Shift Reference: TMS
Recommended Products
BBF-01732 | Mevastatin | Inquiry |
BBF-03884 | Formononetin | Inquiry |
BBF-02582 | Polyporenic acid C | Inquiry |
BBF-03753 | Baicalin | Inquiry |
BBF-03211 | AT-265 | Inquiry |
BBF-05827 | Spliceostatin A | Inquiry |
Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2