Products for Research Use Only

Albiflorin

CAT: 0013-GTR19159518-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159518-02Size:500 mg
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Description
Albiflorin has anticonvulsant effect for pain relief. Albiflorin and paeoniflorin has neuroprotective action against Glu toxicity. Albiflorin and paeoniflorin significantly ameliorated Glu-induced reduction of cell viability, nuclear and mitochondrial apoptotic alteration, reactive oxygen species accumulation and B-cell lymphoma 2 (Bcl-2) /Bax ratio. Albiflorin can serve as a new chemical marker for the quality control of Paeoniae Radix and the Chinese Pharmacopoeia can be updated, via has similar anti-inflammatory effects to paeoniflorin.
CAS Number
39011-90-0
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 5.1 mg/mL; 10.61 mM
Smiles
CC12CC (C3CC1 (C3 (C (=O) O2) COC (=O) C4=CC=CC=C4) OC5C (C (C (C (O5) CO) O) O) O) O
Molecular Formula
C23H28O11
Molecular Weight
480.46
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
[1- (|A-d-glucopyranosyloxy) -4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]non-9-yl]methyl benzoate

Chemical Information

Albiflorin

Albiflorin is a monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. It has a role as a neuroprotective agent and a plant metabolite. It is a beta-D-glucoside, a secondary alcohol, a bridged compound, a benzoate ester, a gamma-lactone and a monoterpene glycoside.

CAS Number39011-90-0
PubChem CID24868421
IUPAC Name[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
Molecular FormulaC23H28O11
Molecular Weight480.5
XLogP-1
Topological Polar Surface Area172
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity830
SMILES
C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI
InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
InChIKey
QQUHMASGPODSIW-ICECTASOSA-N
Chemical Structure
2D Structure
2D structure of Albiflorin
CAS: 39011-90-0
CID: 24868421
Formula: C23H28O11
MW: 480.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight480.5
XLogP3-1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass480.16316171
Monoisotopic Mass480.16316171
Topological Polar Surface Area172 Ų
Heavy Atom Count34
Formal Charge0
Complexity830
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