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Paeonolide

CAT: 0931-T6S1657-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T6S1657-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72520-92-4
Target
Others
Related Pathways
Others
Purity
0.9996
Bioactivity
Paeonolide is a phytoglycoside widely found in the roots of plants of the genus Paeonia and is a novel regulator of the core binding factor subunit alpha-1 in bone-forming cells.
Smiles
COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Molecular Formula
C20H28O12
Molecular Weight
460.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Paeonolide

Paeonolide is a glycoside.

CAS Number72520-92-4
PubChem CID442923
IUPAC Name1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
Molecular FormulaC20H28O12
Molecular Weight460.4
XLogP-2.7
Topological Polar Surface Area185
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity619
SMILES
CC(=O)C1=C(C=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O
InChI
InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
InChIKey
IDZZECHGWAZTIB-NYBIBFQCSA-N
Chemical Structure
2D Structure
2D structure of Paeonolide
CAS: 72520-92-4
CID: 442923
Formula: C20H28O12
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP3-2.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass460.15807632
Monoisotopic Mass460.15807632
Topological Polar Surface Area185 Ų
Heavy Atom Count32
Formal Charge0
Complexity619
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
TN6926-01Paeonoside

Alternative Products

CatalogName
XCA52092-01Paeonolide
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371789Paeonolide discontinued

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