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1440957-55-0

1440957-55-0 Structure

1440957-55-0 Structure
IdentificationBack Directory
[Name]

(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)heptane-2,3-diol
[CAS]

1440957-55-0
[Synonyms]

[2H6]-Secalciferol
26,26,26,27,27,27-2H6]-24R,25-DihydroxyVitamin D3
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)heptane-2,3-diol
[Molecular Formula]

C27H44O3
[MDL Number]

MFCD28899647
[MOL File]

1440957-55-0.mol
[Molecular Weight]

416.65
Chemical PropertiesBack Directory
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Light Sensitive, Temperature Sensitive
[InChIKey]

FCKJYANJHNLEEP-GRTWYPDKNA-N
[SMILES]

C[C@]12CCC/C(=C\C=C3\C[C@@H](O)CCC\3=C)/[C@]1([H])CC[C@]2([H])[C@H](C)CC[C@@H](O)C(O)(C([H])([H])[H])C([H])([H])[H] |&1:1,10,16,20,22,26,r|
[CAS Number Unlabeled]

55721-11-4
Hazard InformationBack Directory
[Uses]

A labelled metabolite of Vitamin D, a possible anti-inflammatory steroid.
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