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7-Dehydrocholesterol (Provitamin D3)

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For Research Use Only | Not For Clinical Use
CATAPS434162
CAS434-16-2
Structure
SynonymsCholesta-5,7-dien-3-ol, (3beta)-, 7-Dehydrocholesterol, Cholesta-5,7-dien-3beta-ol, Dehydrocholesterol, 7-Dehydrocholesterin, Provitamin D3, (3beta)-Cholesta-5,7-dien-3-ol, Delta5,7-Cholestadien-3beta-ol, 7,8-Didehydrocholesterol, Delta7-Cholesterol, Cholesta-5,7-dien-3beta-ol (8CI), Cholesterol, 7-dehydro-,Cholecalciferol Imp. B (EP), NSC 18159
IUPAC Name(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight384.64
Molecular FormulaC27H44O
Canonical SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
Accurate Mass384.3392
FormatNeat
ShippingRoom Temperature
Storage Conditions+4°C
SubcategoryNutritional composition compounds
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