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Uhdenoside

CAT: 0013-GTR19277793-03Size: 3 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277793-03Size:3 mg
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Description
Uhdenoside is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
168074-97-3
Smiles
[H][C@]1 (CC (=O) OCCC2=CC=C (O) C=C2) \C (=C\CO) [C@H] (O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) OC=C1C (O) =O
Molecular Formula
C24H30O13
Molecular Weight
526.49
Notes
For research use only.

Chemical Information

Uhdenoside

Uhdenoside has been reported in Fraxinus uhdei with data available.

CAS Number168074-97-3
PubChem CID45360170
IUPAC Name(4S,5Z,6S)-5-(2-hydroxyethylidene)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Molecular FormulaC24H30O13
Molecular Weight526.5
XLogP-1.7
Topological Polar Surface Area213
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity834
SMILES
C1=CC(=CC=C1CCOC(=O)C[C@@H]\2C(=CO[C@H](/C2=C\CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)O
InChI
InChI=1S/C24H30O13/c25-7-5-14-15(9-18(28)34-8-6-12-1-3-13(27)4-2-12)16(22(32)33)11-35-23(14)37-24-21(31)20(30)19(29)17(10-26)36-24/h1-5,11,15,17,19-21,23-27,29-31H,6-10H2,(H,32,33)/b14-5-/t15-,17+,19+,20-,21+,23-,24-/m0/s1
InChIKey
JORLYMGTWNNOMY-CRIIYPOOSA-N
Chemical Structure
2D Structure
2D structure of Uhdenoside
CAS: 168074-97-3
CID: 45360170
Formula: C24H30O13
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-1.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass526.16864101
Monoisotopic Mass526.16864101
Topological Polar Surface Area213 Ų
Heavy Atom Count37
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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