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Chemical structure of Cholesterol sulfate sodium-d7

GC65459

Cholesterol sulfate sodium-d7

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

Cholesterol sulfate sodium-d7 is deuterium labeled Cholesterol sulfate sodium

ChemicalCAS2687961-01-7MW495.74FormulaC27H38D7NaO4S
CAS number
2687961-01-7
Molecular weight
495.74
Formula
C27H38D7NaO4S
InChIKey
LMPVQXVJTZWENW-CPCPJSHUSA-M
Catalogue number
GC65459
Brand
GLPBIO
Computed properties PubChem CID 162640504 · TPSA 74.8 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
74.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33

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]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C)C([2H])([2H])[2H].[Na+]

Computed descriptors from PubChem (CID 162640504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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