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Chemical structure of Cholestenone-d5

GC68862

Cholestenone-d5

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

Cholestenone-d5 is the deuterated form of Cholestenone· Cholestenone (4-Cholesten-3-one) is an intermediate oxidation product of cholesterol, mainly metabolized in the liver· Cholestenone has high mobility in membranes and can affect cholesterol flipping and efflux· Cholestenone may lead to long-term functional defects in cells

ChemicalCAS72560-60-2MW389.67FormulaC27H39D5O
CAS number
72560-60-2
Molecular weight
389.67
Formula
C27H39D5O
InChIKey
NYOXRYYXRWJDKP-WXOWQUKUSA-N
Catalogue number
GC68862
Brand
GLPBIO
Computed properties PubChem CID 76974111 · XLogP 8.4 · TPSA 17.1 Ų · H-bond donors 0
XLogP
8.4
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
28

SMILES [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@H]4[C@H](C)CCCC(C)C)C)C

Computed descriptors from PubChem (CID 76974111), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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