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

CAS: 511-28-4 Cat. No.: D138931 Formule: C₂₈H₄₆O Poids moléculaire: 398.66 Numéro CE: 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

Stocker à -20°C, chargé d'argon

Shipped In

Glacière + blocs de glace

Vue d’ensemble

description：

le 22,23-dihydroergocalciférol, également connu sous le nom de vitamine D4, est dérivé de champignons tels que la levure. Il est synthétisé à partir du précurseur ergosta-5,7-diénol (22,23-dihydroergostérol).

Specifications

Synonymes

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

Spécifications et pureté

≥97%(HPLC)

Conditions de stockage de stockage

Stocker à -20°C, chargé d'argon

Expédié en

Glacière + blocs de glace

Pureté

≥97%(HPLC)

Noms et identifiants

• Pubchem Sid: 504763831
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763831
• Sourires canoniques: 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
• Isomères 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 Allemagne: 3
• PubChem CID: 5460703
• Poids moléculaire: 398.66

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Sensibilité: light sensitive ；Moisture sensitive
• Point de fusion (°C): 96 - 97°C
• Poids moléculaire: 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

Références

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]