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Kankanoside E

CAT: 0013-GTR19260185-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260185-01Size:25 mg
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Description
Kankanoside E
CAS Number
906080-70-4
Purity
>98% (HPLC)
Molecular Formula
C16H28O8
Molecular Weight
348.392
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Kankanoside E
CAS Number906080-70-4
PubChem CID11653163
IUPAC Name(E,6R)-2,6-dimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoic acid
Molecular FormulaC16H28O8
Molecular Weight348.39
XLogP0.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity424
SMILES
C[C@H](CC/C=C(\C)/C(=O)O)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C16H28O8/c1-9(4-3-5-10(2)15(21)22)6-7-23-16-14(20)13(19)12(18)11(8-17)24-16/h5,9,11-14,16-20H,3-4,6-8H2,1-2H3,(H,21,22)/b10-5+/t9-,11-,12-,13+,14-,16-/m1/s1
InChIKey
FOXBWGQSBSJEOT-FHMJDAQXSA-N
Chemical Structure
2D Structure
2D structure of Kankanoside E
CAS: 906080-70-4
CID: 11653163
Formula: C16H28O8
MW: 348.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.39
XLogP30.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass348.17841785
Monoisotopic Mass348.17841785
Topological Polar Surface Area137 Ų
Heavy Atom Count24
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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