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Chemical structure of 7-keto Cholesterol-d7

GC46241

7-keto Cholesterol-d7

Also known as (3S,8S,9S,10R,13R,14S)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

7-keto Cholesterol is a bioactive sterol and a major oxysterol component of oxidized LDL

ChemicalCAS127684-08-6MW407.7FormulaC27H37D7O2
CAS number
127684-08-6
Molecular weight
407.7
Formula
C27H37D7O2
Solubility
20mg/mL in ethanol, 0·1mg/mL in DMSO, 2mg/mL in DMF
InChIKey
YIKKMWSQVKJCOP-YMQSFMNJSA-N
Catalogue number
GC46241
Brand
GLPBIO
Computed properties PubChem CID 71749673 · XLogP 7.5 · TPSA 37.3 Ų · H-bond donors 1
XLogP
7.5
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
29

SMILES [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 71749673), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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