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Vitamin D2-d3

CAT: 0804-HY-15330-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15330-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vitamin D2-d3 (Ergocalciferol-d3) is the deuterium labeled vitamin D2 , where the C-6 and C-19 protons are replaced by deuterium. Vitamin D2 can be produced by plants and mushrooms in the presence of sunlight[1].
CAS Number
1217448-46-8
Product Name Alternative
Ergocalciferol-d3; Calciferol-d3; VD2-d3
UNSPSC
12352211
Hazard Statement
H301+H311, H330, H372
Target
Endogenous Metabolite; Isotope-Labeled Compounds; VD/VDR
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Purity
98.57
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@@H](CCC/1=C([2H])\[2H])CC1=C([2H])\C=C2[C@@](CC[C@@H]3[C@@H](/C=C/[C@H](C)C(C)C)C)([H])[C@]3(C)CCC\2
Molecular Formula
C28H41D3O
Molecular Weight
399.67
Precautions
H301+H311, H330, H372
References & Citations
[1]Anja Teichmann, et al., Sterol and vitamin D2 concentrations in cultivated and wild grown mushrooms: Effects of UV irradiation, LWT - Food Science and Technology, Volume 40, Issue 5, 2007, Pages 815-822, ISSN 0023-6438.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(3S,5E,7E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol
CAS Number1217448-46-8
PubChem CID71310750
IUPAC Name(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
Molecular FormulaC28H44O
Molecular Weight399.7
XLogP7.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity678
SMILES
[2H]C(=C/1CC[C@@H](C\C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C)O)[2H]
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9?,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1/i4D2,13D
InChIKey
MECHNRXZTMCUDQ-BKGWWREFSA-N
Chemical Structure
2D Structure
2D structure of (3S,5E,7E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol
CAS: 1217448-46-8
CID: 71310750
Formula: C28H44O
MW: 399.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.7
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass399.358046261
Monoisotopic Mass399.358046261
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity678
Isotope Atom Count3
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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