Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3a,5b,7a,12a)-


Chemical Name: Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3a,5b,7a,12a)-
CAS Number: 1448-36-8
Product Number: AG001K6U(AGN-PC-0O2YQH)
Synonyms:
MDL No:
Molecular Formula: C25H42O5
Molecular Weight: 422.5980

Identification/Properties


Properties
MP:
155-156°C
BP:
541.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
422.606g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
422.303g/mol
Monoisotopic Mass:
422.303g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
652
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
11
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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