Cholan-24-oic acid, 3,7,12-trioxo-, (5b)-


Chemical Name: Cholan-24-oic acid, 3,7,12-trioxo-, (5b)-
CAS Number: 81-23-2
Product Number: AG0036HD(AGN-PC-0OIIJ7)
Synonyms:
MDL No:
Molecular Formula: C24H34O5
Molecular Weight: 402.5238

Identification/Properties


Properties
MP:
238-240 °C
BP:
581.5 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
30.5 ° (C=2, Dioxane)
Solubility:
ethanol: 10 mg/mL
Computed Properties
Molecular Weight:
402.531g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
402.241g/mol
Monoisotopic Mass:
402.241g/mol
Topological Polar Surface Area:
88.5A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
756
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
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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