Chemical structure of CAS 547-98-8

3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid

CAS No.547-98-8
MDL No.MFCD22416733
MFC27H46O5
MW450.70
InChI KeyCNWPIIOQKZNXBB-VCVMUKOKSA-N
CUSTOM SYNTHESIS

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Product Information

3α,7α,12α-Trihydroxy-5β-cholestan-26-oic acid is a steroid acid and a human metabolite. It is a hydroxy monocarboxylic acid with hydroxy groups at the 3α, 7α, and 12α positions. It is also a conjugate acid of 3α,7α,12α-trihydroxy-5β-cholestan-26-oate(1-). It derives from a hydride of 5β-cholestane.

CAS No.547-98-8
Product Name3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid
Heavy Atom Count32Rotatable Bond Count6
Atom Stereo Count12Bond Stereo Count0
HBA4HBD4
TPSA97.990 ŲCharge0
Exact Mass450.33452Complexity695.53
pKa4.495XLogP4.475