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3-epi-25-Hydroxyvitamin D₃ solution - 100μg/mL in ethanol, 98% (CP), high purity , CAS No.73809-05-9

COA

Grade & Purity:

≥98 atom% D,≥98%
100μg/mL in ethanol

Cas Number: 73809-05-9
Molecular Weight: 400.64
MDL number: MFCD11656130
PubChem CID: 1593

In stock

Item Number

E466254

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SKU	Size	Availability	Price	Qty
E466254-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,278.90

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Class B GPCR (170)

Basic Description

Synonyms	FT-0664199 \| DTXSID30274318 \| 3-epi-25-Hydroxy Vitamin D3 \| (1S,3Z)-3-[(2E)-2-[(1R,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol \| 3-Epi-25-Hydroxyvitamin D3 \| 1233749-0
Specifications & Purity	≥98 atom% D,≥98%, 100μg/mL in ethanol
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description 3-epi-25-Hydroxyvitamin D3abbreviated as 3-epi-25(OH)D3is a metabolite of vitamin D3produced in the liver. 3-epi-25(OH)D3is used as a biomarker to determine the status of vitamin D in the body. It can be also employed as an analytical standard for the quantification of 3-epi-25(OH)D3molecules in human serum using the LC-MS/MS method.

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 Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Triterpenoid - Tertiary alcohol - 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	3-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
INCHI	InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3
InChIKey	JWUBBDSIWDLEOM-UHFFFAOYSA-N
Smiles	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomeric SMILES	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Molecular Weight	400.64
Reaxy-Rn	34003584
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34003584&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	-144.0 °C
Molecular Weight	400.600 g/mol
XLogP3	6.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	400.334 Da
Monoisotopic Mass	400.334 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	655.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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