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1311259-89-8

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1311259-89-8 Structure

1311259-89-8 Structure
IdentificationBack Directory
[Name]

Ergocalciferol, Vit D2-d6
[CAS]

1311259-89-8
[Synonyms]

[2H6]-Vitamin D2
Vitamin D2-d6
Ergocalciferol, Vit D2-d6
Ergocalciferol-d6
Ergocalciferol (Vitamin D2)-d6
Vitamin D2-[26,26,26,27,27,27]-d6
[Molecular Formula]

C28H38D6O
[MDL Number]

MFCD28963714
[MOL File]

1311259-89-8.mol
[Molecular Weight]

402.685
Chemical PropertiesBack Directory
[Boiling point ]

504.199±29.00 °C(Press: 760.00 Torr)(predicted)
[density ]

0.975±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[form ]

Solid
[pka]

14.742±0.20(predicted)
[color ]

White to off-white
[InChIKey]

MECHNRXZTMCUDQ-OQQHUBNQNA-N
[SMILES]

[C@H]1(O)CCC(=C)/C(=C\C=C2/CCC[C@@]3(C)[C@@]/2([H])CC[C@@H]3[C@@H](/C=C/[C@H](C)C(C([2H])([2H])[2H])C([2H])([2H])[2H])C)/C1 |&1:0,13,15,19,20,23,r|
Hazard InformationBack Directory
[Uses]

Labelled Vitamin D2 (V676040). The synthetic form of Vitamin D. Prepared from ergosterol by UV irradiation in a suitable solvent. Commercial solutions are usually made with propylene glycol or sesame oil. Antirachitic.
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