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25-Hydroxy Cholesterol-d6

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For Research Use Only | Not For Clinical Use
CATAPS88247692
CAS88247-69-2
Structure
Synonyms5-Cholesten-3β,25-diol-26,26,26,27,27,27-d6, 25-Hydroxy Cholesterol-d6, 25-Hydroxycholesterol-26,26,26,27,27,27-D6,Cholest-5-ene-26,26,26,27,27,27-d6-3,25-diol, (3β)-, (3β)-Cholest-5-ene-26,26,26,27,27,27-d6-3,25-diol, 26,26,26,27,27,27-Hexadeuterio-25-hydroxy-5-cholestene-3β-ol
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight408.69
Molecular FormulaC272H6H40O2
Canonical SMILES[2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
InChIInChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
Accurate Mass408.3874
FormatNeat
SubcategoryEnzyme inhibitors, Stable isotope labelled compounds
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