Home Other Building Blocks 3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID

3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID

CAS No.:
10573-17-8
Catalog Number:
AG008XMA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008XMA
Chemical Name:
3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID
CAS Number:
10573-17-8
MDL Number:
MFCD09038290
IUPAC Name:
(4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20-,23-,24-/m1/s1
InChI Key:
JWZBXKZZDYMDCJ-NYGMMZBPSA-N
EC Number:
234-159-4
NSC Number:
18168
Properties
Complexity:
645  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.277g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
390.564g/mol
Monoisotopic Mass:
390.277g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties