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25-Hydroxyvitamin D₃-23,24,25,26,27-¹³C₅ solution - 100 μg/mL in ethanol, 99 atom % 13C, 95%, high purity , CAS No.19356-17-3
Basic Description
Synonyms
25-Hydroxyvitamin D3 monohydrate, >=99.0% (HPLC) | Cholecalciferol, 25-hydroxy- | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL | Calcifediol | HMS1791G13 | BDBM50521013 | 1H-Indene-1-pent
Specifications & Purity
Moligand™, ≥99 atom% 13C,≥95%, 100 μg/mL in ethanol
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.
Grade
Moligand™
Product Description
25-Hydroxyvitamin D 3 (calcifediol) is a prohormone produced via hydroxylation of vitamin D 3 (cholecalciferol) in the liver. It is a precursor for the synthesis of calcitriol {1,25-dihydroxyvitamin D 3 or [1,25(OH) 2 D 3 ]}. It is used as a biomarker to determine the status of vitamin D in the body. 25-Hydroxyvitamin D 3 -23,24,25,26,27- 13 C 5 is an isotope of vitamin D 3 wherein C-23, C-24, C-25, C-26, C-27 carbons are replaced by 13 C 6 isotope.
Application
25-Hydroxyvitamin D 3 -23,24,25,26,27- 13 C 5 can be used as a stable isotope internal standard for data interpretation in specific biological samples by mass spectrometry.
Taxonomic Classification
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
Vitamin D3 and derivatives
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-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/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChIKey
JWUBBDSIWDLEOM-DTOXIADCSA-N
Smiles
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomeric SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
WGK Germany
1
Alternate CAS
63283-36-3
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)
Chemical and Physical Properties
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 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
655.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
5
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
2
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
2
Covalently-Bonded Unit Count
1
Citations of This Product
1.
He Qiting, Qin Ruixi, Glowacki Julie, Zhou Shuanhu, Shi Jie, Wang Shaoyi, Gao Yuan, Cheng Lei.
(2021)
Synergistic stimulation of osteoblast differentiation of rat mesenchymal stem cells by leptin and 25(OH)D3 is mediated by inhibition of chaperone-mediated autophagy.
Stem Cell Research & Therapy,
12
(1):
(1-13).
2.
Chen Huaiyi, Liao Ziwei, Sun Gongwei, Wu Tianhao, Yang Jinlei, Pan Siyuan, Zhang Sichun, Tang Fei.
(2025)
Affinity Capture Coupled with Nano-Electrospray Ionization-Mass Spectrometry for Rapid Detection of 25-hydroxyvitamin D3 in Serum.
Journal of Analysis and Testing,
(1-5).
3.
Cai Tongji, Chen Meilun, Yang Jie, Tang Chunhua, Lu Xiaoling, Wei Zheng, Jiang Hanbing, Hou Yucui, Zhao Jia, Yu Peng.
(2024)
An AuNPs-based electrochemical aptasensor for the detection of 25-hydroxy vitamin D3.
ANALYTICAL SCIENCES,
(1-9).
4.
Lixin Kang, Haoran Li, Kexin Lin, Shen Hu, Song Liu, Yuben Qiao, Ying Wang, Aitao Li.
(2025)
Regioselectivity Switching in CYP107Pdh-Catalyzed VD3 Hydroxylation: A Structure-Guided Approach To Improve Calcidiol Production.
ACS Catalysis,
15
(5):
(4160-4171).
5.
Zi-qing Wang, Li-ping Hao, Zi-xuan Meng, Hao-ran Zhang, Wei-jun Kang, Lian-feng Ai.
(2025)
Simultaneous determination of 25(OH)D2, 25(OH)D3 and 1α,25(OH)2D3 in human serum by derivatization-liquid chromatography-tandem mass spectrometry.
ANALYTICAL BIOCHEMISTRY,
701
(115821).
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