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Home Other Building Blocks 3.alpha.-Hydroxy-7-oxo-5.beta.-cholanic acid

3.alpha.-Hydroxy-7-oxo-5.beta.-cholanic acid

CAS No.:
4651-67-6
Catalog Number:
AG0035ZB
Molecular Formula:
C24H38O4
Molecular Weight:
390.5561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(HPLC)
In Stock USA
United States
$164
- +
25g
98%(HPLC)
In Stock USA
United States
$455
- +
100g
98%(HPLC)
In Stock USA
United States
$1283
- +
Product Description
Catalog Number:
AG0035ZB
Chemical Name:
3.alpha.-Hydroxy-7-oxo-5.beta.-cholanic acid
CAS Number:
4651-67-6
Molecular Formula:
C24H38O4
Molecular Weight:
390.5561
MDL Number:
MFCD00271393
IUPAC Name:
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1
InChI Key:
DXOCDBGWDZAYRQ-AURDAFMXSA-N
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)CC(=O)[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C
EC Number:
225-083-2
UNII:
Y1357H1A28
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  
Literature
Title Journal
Hepatic reduction of the secondary bile acid 7-oxolithocholic acid is mediated by 11β-hydroxysteroid dehydrogenase 1. The Biochemical journal 20110615
Conversion of cholic acid and chenodeoxycholic acid into their 7-oxo derivatives by Bacteroides intestinalis AM-1 isolated from human feces. FEMS microbiology letters 20090401
Properties