Cas no 57651-82-8 (3-Epivitamin D3/3-epicholecalciferol)

3-Epivitamin D3 (3-epicholecalciferol) is a stereoisomer of vitamin D3, distinguished by the epimerization of the hydroxyl group at the C-3 position. This structural modification influences its biological activity and metabolic pathway, making it a valuable compound for research in vitamin D metabolism and receptor interactions. Unlike conventional vitamin D3, 3-epivitamin D3 exhibits altered binding affinity to the vitamin D receptor (VDR), providing insights into structure-activity relationships. It is particularly useful in studying enzymatic hydroxylation processes and the role of stereochemistry in vitamin D signaling. This compound serves as a critical reference standard in analytical and pharmacological studies, aiding in the exploration of vitamin D analogs and their therapeutic potential.
3-Epivitamin D3/3-epicholecalciferol structure
57651-82-8 structure
Product Name:3-Epivitamin D3/3-epicholecalciferol
CAS No:57651-82-8
MF:C27H44O
MW:384.637668609619
MDL:MFCD28963703
CID:947362
Update Time:2025-05-28

3-Epivitamin D3/3-epicholecalciferol Chemical and Physical Properties

Names and Identifiers

    • 1-ALPHA-HYDROXYVITAMIND3
    • 3-epivitamin D3 / 3-epicholecalciferol
    • Epicholecalciferol
    • 1C6V77QF41
    • Prestwick2_000429
    • HMS1569E20
    • LMST03020219
    • 3-Epivitamin D3/3-epicholecalciferol
    • 3-epi-Vitamin D3
    • MDL： MFCD28963703
    • Inchi： 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1
    • InChI Key： QYSXJUFSXHHAJI-YHJXBONMSA-N
    • SMILES： O[C@@H]1CCC(=C)/C(/C1)=C\C=C1/CCC[C@@]2(C)[C@H]/1CC[C@@H]2[C@H](C)CCCC(C)C

Computed Properties

  • Exact Mass: 384.339216
  • Monoisotopic Mass: 384.339216
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 610
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Density: 1.0044 (rough estimate)
  • Melting Point: 135°C
  • Boiling Point: 463.26°C (rough estimate)
  • Refractive Index: 1.4480 (estimate)

3-Epivitamin D3/3-epicholecalciferol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB465129-1 mg
3-Epi-Vitamin D3; .
 57651-82-8
1mg
 €179.00 2023-07-18
abcr
AB465129-10 mg
3-Epi-Vitamin D3; .
 57651-82-8
10mg
 €935.00 2023-07-18
abcr
AB465129-1mg
3-Epi-Vitamin D3; .
 57651-82-8
1mg
 €179.00 2025-04-17
abcr
AB465129-10mg
3-Epi-Vitamin D3; .
 57651-82-8
10mg
 €935.00 2025-04-17
MedChemExpress
HY-15398C-1mg
3-epi-Vitamin D3
 57651-82-8 94.11%
1mg
 ￥2150 2025-04-16
MedChemExpress
HY-15398C-5mg
3-epi-Vitamin D3
 57651-82-8 94.11%
5mg
 ￥5400 2025-04-16

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