Vitamin D3 octanoate

For research use only. Not for therapeutic Use.

  • CAT Number: R058827
  • CAS Number: 927822-16-0
  • Molecular Formula: C35H58O2
  • Molecular Weight: 510.83
  • Purity: ≥95%
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Vitamin D3 octanoate(Cat No.:R058827)is a synthetic ester derivative of cholecalciferol (vitamin D3), formed by esterifying the hydroxyl group with octanoic acid. This modification enhances the compound’s lipophilicity, improving its stability and potential for sustained release in pharmaceutical or cosmetic formulations. Like native vitamin D3, it contributes to calcium and phosphate homeostasis, supporting bone health and immune function. The octanoate form may also be explored for topical or transdermal delivery systems due to better skin permeability. Its modified structure makes it suitable for specialized applications in nutraceuticals and dermatological research.


CAS Number 927822-16-0
Synonyms

[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] octanoate

Molecular Formula C35H58O2
Purity ≥95%
IUPAC Name [(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] octanoate
InChI InChI=1S/C35H58O2/c1-7-8-9-10-11-17-34(36)37-31-21-18-27(4)30(25-31)20-19-29-16-13-24-35(6)32(22-23-33(29)35)28(5)15-12-14-26(2)3/h19-20,26,28,31-33H,4,7-18,21-25H2,1-3,5-6H3/b29-19+,30-20-/t28-,31+,32-,33+,35-/m1/s1
InChIKey ARPKBLFKZDOQKT-MOKSJEDKSA-N
SMILES CCCCCCCC(=O)O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C1
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