25-Hydroxyvitamin D₂ - Moligand™, ≥98% , CAS No.21343-40-8

CAS: 21343-40-8 Cat. No.: H120132 Molecular Weight: 412.65 Beilstein Registry Number: 4716773 EC Number: 606-742-7 PubChem CID: 5710148

GRADE & PURITY Moligand™, ≥98%

Synonyms

25-Hydroxy Vitamin D2 | A288AR3C9H | 25-Hydroxyergocalciferol | 25-hydroxyergocalciferol- | (S,Z)-3-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol | 25-Hyd

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

25-Hydroxy Vitamin D2 | A288AR3C9H | 25-Hydroxyergocalciferol | 25-hydroxyergocalciferol- | (S, Z)-3-(2-((1R, 3aS, 7aR, E)-1-((2R, 5S, E)-6-Hydroxy-5, 6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol | 25-Hyd

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Ercalcidiol(25-hydroxy Vitamin D2) isVDR-like Receptors. Ercalcidiol(25-hydroxy Vitamin D2) is a metabolite of vitamin D2.Biologically active metabolite of Vitamin D 2 metabolite. Active in vivo.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

MODULATOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763947
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763947
• Canonical Smiles: CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
• InChIKey: KJKIIUAXZGLUND-ICCVIKJNSA-N
• INCHI: 1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(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: 3
• PubChem CID: 5710148
• Molecular Weight: 412.65
• Beilstein: 4716773

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: Vitamin D2 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 412.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 412.334 Da
• Monoisotopic Mass: 412.334 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 725.000
• Isotope Atom Count: 0
• 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

References

1. 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,      [PMID:] [10.1007/s41664-025-00361-2]

2. 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,      [PMID:38190076] [10.1007/s44211-023-00489-0]

3. 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,      [PMID:40010585] [10.1016/j.ab.2025.115821]