Products for Research Use Only
RegisterLogin

7-Ketologanic acid

CAT: 0804-HY-N17690Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N17690Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
7-Ketologanic acid is an iridoid glucoside. 7-Ketologanic acid is an efficient precursor for 8-epi-kingisidic acid. 7-Ketologanic acid can be extracted from dry leaves of P. azorica[1][2].
CAS Number
170382-11-3
UNSPSC
12352005
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Smiles
OC(C1=CO[C@H]([C@@]2([H])[C@]1([H])CC([C@@H]2C)=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)=O
Molecular Formula
C16H22O10
Molecular Weight
374.34
References & Citations
[1]Gousiadou C, et al. Iridoid glucosides in the endemic Picconia azorica (Oleaceae) . Phytochemistry. 2015 Jul;115:171-4. |[2]Damtoft S, et al. Biosynthesis of iridoids in Syringa and Fraxinus: carbocyclic iridoid precursors. Phytochemistry, 1995, 40 (3) : 785-792.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ketologanic acid

Ketologanic acid has been reported in Picconia excelsa with data available.

CAS Number170382-11-3
PubChem CID14137244
IUPAC Name(1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Molecular FormulaC16H22O10
Molecular Weight374.34
XLogP-2
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity604
SMILES
C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O
InChI
InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,9-13,15-17,19-21H,2-3H2,1H3,(H,22,23)/t5-,6+,9+,10+,11+,12-,13+,15-,16-/m0/s1
InChIKey
HGYUBLMQZDQRSI-PZGZDOIQSA-N
Chemical Structure
2D Structure
2D structure of Ketologanic acid
CAS: 170382-11-3
CID: 14137244
Formula: C16H22O10
MW: 374.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.34
XLogP3-2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass374.12129689
Monoisotopic Mass374.12129689
Topological Polar Surface Area163 Ų
Heavy Atom Count26
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N117947-Ketologanin
HY-W001494-017-Methoxy-7-oxoheptanoic acid
HY-W2656447-Oxoheptanoic acid
HY-W002042-017-Aminoheptanoic acid
HY-W018512-017-Ketolithocholic acid
HY-W750458-01Acid Violet 7
HY-69220-017-Octynoic acid
HY-W414355Acid Blue 7
HY-N1442-01Acid orange 7
HY-W014217-017-Aminodeacetoxycephalosporanic acid

Alternative Products

CatalogName
GTR19279374-017-Ketologanic acid
MBS565568-017,7-Dimethyleicosadienoic acid
H998456Heptanoic-7,7,7-d3 Acid
OR90529-017-Methoxy-7-oxoheptanoic acid
sc-200707A7,7-Dimethyleicosadienoic Acid (DEDA)
OR1049856-017- (7-Aminoheptanamido) heptanoic acid
B1652-507-Aminocephalosporanic acid
B6232-5.17-Chlorokynurenic acid
KCA32005-017-Sulfocholic acid
T207439-017-Aminoheptanoic acid

Popular Products