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ChemicalBook--->CAS DataBase List--->22145-68-2

22145-68-2

22145-68-2 Structure

22145-68-2 Structure
IdentificationBack Directory
[Name]

25-HydroxyprovitaMin D3
[CAS]

22145-68-2
[Synonyms]

25-HydroxyprovitaMin D3
IMpurity B of Calcifediol
Calcifediol EP Impurity B
cholesta-5,7-diene-3β,25-diol
Cholesta-5,7-diene-3B,25-diol,
Cholesta-5,7-diene-3,25-diol, (3β)-
Calcifediol Impurity 2(Calcifediol EP Impurity B)
Calcifediol EP Impurity B/Cholesta-5,7-diene-3β,25-dio
(3S,9S,10R,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
[Molecular Formula]

C27H44O2
[MOL File]

22145-68-2.mol
[Molecular Weight]

400.65
Chemical PropertiesBack Directory
[Melting point ]

169-171 °C
[Boiling point ]

527.0±43.0 °C(Predicted)
[density ]

1.05±0.1 g/cm3(Predicted)
[pka]

14.91±0.70(Predicted)
[InChIKey]

JJFYNCJHSCTBPW-JDBQHWKHNA-N
[SMILES]

C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC=C3[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(O)(C)C)C |&1:1,4,6,9,16,20,22,r|
Safety DataBack Directory
[Symbol(GHS) ]


GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H372-H310-H300-H330
[Precautionary statements ]

P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P260-P264-P270-P314-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Hazard InformationBack Directory
[Uses]

25-Hydroxyprovitamin D3 (Chloesterol Impurity 6) is an impurity of Calcifediol (C125700) which is a metabolite of Vitamin D.
[Definition]

ChEBI: Cholesta-5,7-dien-3beta,25-diol is a cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 25. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a 25-hydroxy steroid, a cholestanoid, a 3beta-hydroxy-Delta(5)-steroid and a C27-steroid. It is functionally related to a cholesta-5,7-dien-3beta-ol.
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