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Vitamin D₂ (6,19,19-d₃) - 98% (CP), high purity , CAS No.1217448-46-8

COA

Grade & Purity:

≥98%

Cas Number: 1217448-46-8
Molecular Weight: 399.67
MDL number: MFCD11656674
PubChem CID: 66577029

In stock

Item Number

V473766

Grouped product items
SKU	Size	Availability	Price	Qty
V473766-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$781.90

View related series

Metabolite (5307) VD/VDR (83) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,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 \| VD2-D3 \| AKOS025312311 \| Vitamin D2 (6,19,19-d3) \| MS-26780 \| HY
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Vitamin D2(6,19,19-d3) is a deuterated vitamin D2wherein C-6 and C-19 protons are replaced by deuterium. Vitamin D2, also known as ergocalciferol, is produced by plants and mushrooms in the presence of sunlight.Vitamin D2(6,19,19-d3) can be used as an analytical standard for the quantitative analysis of vitamin D2concentration in human blood via LC-MS/MS.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Vitamin D and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Vitamin D and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Vitamin D and derivatives
Alternative Parents	Triterpenoids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Triterpenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,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
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-OQGZBSKRSA-N
Smiles	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomeric 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]
Alternate CAS	50-14-6（unlabelled）
Molecular Weight	399.67
Reaxy-Rn	32395107
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32395107&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	399.700 g/mol
XLogP3	7.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	399.358 Da
Monoisotopic Mass	399.358 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	678.000
Isotope Atom Count	3
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	3
Covalently-Bonded Unit Count	1

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