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Chemical structure of 5α,6β-Dihydroxycholestanol-d7

GC46715

5α,6β-Dihydroxycholestanol-d7

Also known as (3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

An internal standard for the quantification of 5α,6β-dihydroxycholestanol

ChemicalCAS127684-07-5MW427.7FormulaC27H41D7O3
CAS number
127684-07-5
Molecular weight
427.7
Formula
C27H41D7O3
Solubility
Methanol： Slightly Soluble
InChIKey
YMMFNKXZULYSOQ-UCHKBJBUSA-N
Catalogue number
GC46715
Brand
GLPBIO
Computed properties PubChem CID 46783184 · XLogP 7 · TPSA 60.7 Ų · H-bond donors 3
XLogP
7
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30

SMILES [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 46783184), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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