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

CAS: 21343-40-8 Cat. No.: H466256 Formula: C₂₈H₄₄O₂ Molecular Weight: 412.65 Beilstein Registry Number: 4716773 EC Number: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%, 100μg/mL in ethanol

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

Pubchem Sid

528757696

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

• 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