Vitamin D4 - ≥97%(HPLC) , CAS No.511-28-4

CAS: 511-28-4 Cat. No.: D138931 Peso molecular: 398.66 Número EC: 208-127-5 PubChem CID: 5460703

GRADE & PURITY ≥97%(HPLC)

Synonyms

Vitamin D4 | (5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol | 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl- | 22-DIHYDROERGOCALCIFEROL(5Z,7E)-(3S)-9,10-SECO-5,7,10(19)-ERGOSTATRIEN-3-OL(24S)-METHYLCALCIOL | CHEBI:178169 | (3beta,5Z,7E)-9,10-seco

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

description：

22,23-Dihydroergocalciferol, also known as vitamin D4, is derived from fungi such as yeast. It is synthesized from the precursor ergosta-5,7-dienol (22,23-dihydroergosterol).

Specifications

Sinónimos

Vitamin D4 | (5Z, 7E)-(3S)-9, 10-secoergosta-5, 7, 10(19)-trien-3-ol | 9, 10-Secocholesta-5, 7, 10(9)-trien-3-ol, 24-methyl- | 22-DIHYDROERGOCALCIFEROL(5Z, 7E)-(3S)-9, 10-SECO-5, 7, 10(19)-ERGOSTATRIEN-3-OL(24S)-METHYLCALCIOL | CHEBI:178169 | (3beta, 5Z, 7E)-9, 10-seco

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504763831
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763831
• Sonrisas canónicas: CC(C)C(C)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
• InChIKey: DIPPFEXMRDPFBK-JPWDPSJFSA-N
• INCHI: 1S/C28H46O/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/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
• Isómeros SMILES: C[C@H](CC[C@H](C)C(C)C)[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: 5460703
• Peso molecular: 398.66

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 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
• 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 D4 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

• Solubilidad: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Sensibilidad: light sensitive ；Moisture sensitive
• Punto de fusión (°C): 96 - 97°C
• Peso molecular: 398.700 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 398.355 Da
• Monoisotopic Mass: 398.355 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 639.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Referencias

1. Fengyan Tang, Bo Zhao, Li Zhang, Faisal Raza, Hajra Zafar, Shao Zhong, Lin Li, Wenhua Zhu, Lingna Fang, Bing Lu, Liwen Shen, Ping Guo, Nengxing Yu, Quanmin Li.  (2024)  Co-treatment of Astragaloside IV with Vitamin D in Diabetic Peripheral Neuropathic Rats: Protective Effects and Potential Mechanisms.  Current Molecular Pharmacology,  17  (1): (e18761429267000).  [PMID:38254301] [10.2174/0118761429267000231004111024]