Products for Research Use Only
RegisterLogin

7-keto-deoxycholic acid

CAT: 0931-TN7120-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN7120-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
911-40-0
Target
Others, Drug Metabolite
Related Pathways
Metabolism, Others
Purity
0.9963
Bioactivity
7-keto-deoxycholic acid is converted from Lactobacillus and Bifidobacterium with specific condition and from cholic acid in vitro.
Smiles
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C
Molecular Formula
C24H38O5
Molecular Weight
406.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Ketodeoxycholic acid

3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid and a 7-oxo steroid. It is a conjugate acid of a 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate.

CAS Number911-40-0
PubChem CID188292
IUPAC Name(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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
Molecular FormulaC24H38O5
Molecular Weight406.6
XLogP3.3
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity676
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1
InChIKey
RHCPKKNRWFXMAT-RRWYKFPJSA-N
Chemical Structure
2D Structure
2D structure of 7-Ketodeoxycholic acid
CAS: 911-40-0
CID: 188292
Formula: C24H38O5
MW: 406.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass406.27192431
Monoisotopic Mass406.27192431
Topological Polar Surface Area94.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T2965-01Deoxycholic acid
TMIH-0182-01Deoxycholic acid-d4
T207843-01Deoxycholic acid 3-sulfate
T5077-01Deoxycholic acid sodium salt
TYD-04078-01Deoxycholic acid disulfate sodium
TN7320-017-Keto DHEA
T131629-01Deoxycholic acid (Choleic acid; Droxolan; Pyrochol; Septochol)
TN7319-017-keto DHEA Acetate
T201105-017-Keto-27-hydroxycholesterol
T356603-keto Fusidic Acid

Alternative Products

CatalogName
HY-41324-017-keto-Deoxycholic acid
HY-41324R-017-keto-Deoxycholic acid (Standard)
MBS3920467-017-oxo-Deoxycholic acid
RM-D221007-01Deoxycholic Acid Impurity 7
N1669-5.1Deoxycholic acid

Popular Products