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Asperulosidic acid

CAT: 0013-GTR19155759-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155759-02Size:200 mg
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Description
Asperulosidic acid has anti-tumor, anti-oxidant, and anti-inflammatory activities.ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways.
CAS Number
25368-11-0
Product Name Alternative
ASPA
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (231.28 mM)
Smiles
OC[C@H] ([C@@H] (O) [C@H] (O) [C@H]1O) O[C@@]1 ([H]) O[C@H]2[C@@]3 ([H]) [C@@] ([C@@H] (O) C=C3COC (C) =O) ([H]) C (C (O) =O) =CO2
Molecular Formula
C18H24O12
Molecular Weight
432.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Asperulosidic Acid

Asperulosidic acid is a glycoside and an iridoid monoterpenoid.

CAS Number25368-11-0
PubChem CID11968867
IUPAC Name(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular FormulaC18H24O12
Molecular Weight432.4
XLogP-3.2
Topological Polar Surface Area192
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity733
SMILES
CC(=O)OCC1=C[C@@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChIKey
DGDWCRWJRNMRKX-DILZHRMZSA-N
Chemical Structure
2D Structure
2D structure of Asperulosidic Acid
CAS: 25368-11-0
CID: 11968867
Formula: C18H24O12
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass432.12677620
Monoisotopic Mass432.12677620
Topological Polar Surface Area192 Ų
Heavy Atom Count30
Formal Charge0
Complexity733
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

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Alternative Products

CatalogName
RG-D050102-01Asperulosidic Acid
HY-N6246RAsperulosidic Acid (Standard)
MBS385371-01Desacetyl asperulosidic acid
A24184-50Asperulosidic Acid 50mg
A24184-10Asperulosidic Acid 10mg
A24184-1Asperulosidic Acid 1mg
TN8800-01Methyl asperulosidic acid
A24184-5Asperulosidic Acid 5mg
AB1400Asperulosidic acid methyl ester
A14803-100Desacetyl asperulosidic acid 100mg

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