25-Hydroxyvitamin D₂ solution - Moligand™, ≥98%, 100μg/mL in ethanol , CAS No.21343-40-8

CAS: 21343-40-8 Cat. No.: H466256 Peso molecular: 412.65 Beilstein Registry Number: 4716773 Número EC: 606-742-7 PubChem CID: 5710148

GRADE & PURITY Moligand™, ≥98%, 100μg/mL in ethanol

Synonyms

SCHEMBL285345 | 9,10-Secoergosta-5,7,10(19),22-tetraene-3beta,25-diol | Benorilate (INN) | 25-Hydroxyecalciferol | AKOS017343025 | 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3beta,5Z,7E,22E)- | 25-Hydroxy Vitamin D2 | 25-hydroxyvitamin D2 / 25-hy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

25-Hydroxyvitamin D2(ergocalciferol or 25-hydroxycalciferol) is a metabolite of vitamin D found in the liver. It is one of the most common forms of vitamin D circulating in the body and plays an important role in determining vitamin D deficiency.25-Hydroxyvitamin D2can be used as an analytical standard for the quantitative analysis of 25-Hydroxyvitamin D2content in biological fluids via LC-MS/MS.

Specifications

Sinónimos

SCHEMBL285345 | 9, 10-Secoergosta-5, 7, 10(19), 22-tetraene-3beta, 25-diol | Benorilate (INN) | 25-Hydroxyecalciferol | AKOS017343025 | 9, 10-Secoergosta-5, 7, 10(19), 22-tetraene-3, 25-diol, (3beta, 5Z, 7E, 22E)- | 25-Hydroxy Vitamin D2 | 25-hydroxyvitamin D2 / 25-hy

Especificaciones y pureza

Moligand™, ≥98%, 100μg/mL in ethanol

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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 Alemania: 3
• PubChem CID: 5710148
• Peso molecular: 412.65
• Beilstein: 4716773

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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

Referencias

1. 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]

2. 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]

3. 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]