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Dehydroandrographolide

CAT: 0013-GTR19174666-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174666-01Size:5 mg
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Description
Dehydroandrographolide is a bioactive diterpenoid isolated from Andrographis paniculata. It is widely used in research for investigating anti-inflammatory and anticancer mechanisms, with applications in both in vitro cell-based assays and in vivo pharmacological studies.
CAS Number
134418-28-3
Product Name Alternative
Inhibitor, iNOS, herbal, InfluenzaVirus, Influenza Virus, inhibit, anti-infective, Dehydroandrographolide, stress, oxidative
Field of Research
Immunology & Inflammation, Infectious Disease & Virology
Purity
99.09% (May vary between batches)
Solubility
DMSO:10 mM;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.02 mM)
Smiles
C[C@]12[C@@] ([C@@] (CO) (C) [C@H] (O) CC1) (CCC (=C) [C@@H]2C/C=C\3/C (=O) OC=C3) [H]
Molecular Formula
C20H28O4
Molecular Weight
332.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dehydroandrographolide

dehydroandrographolide has been reported in Andrographis paniculata with data available.

CAS Number134418-28-3
PubChem CID78577438
IUPAC Name(3E)-3-[2-[(1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
Molecular FormulaC20H28O4
Molecular Weight332.4
XLogP3.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity605
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@@H]2C/C=C/3\C=COC3=O)(C)CO)O
InChI
InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16-,17+,19-,20-/m0/s1
InChIKey
YIIRVUDGRKEWBV-CZUXAOBFSA-N
Chemical Structure
2D Structure
2D structure of Dehydroandrographolide
CAS: 134418-28-3
CID: 78577438
Formula: C20H28O4
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass332.19875937
Monoisotopic Mass332.19875937
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
463627Dehydroandrographolide
446013Dehydroandrographolide Succinate
HY-N0676RDehydroandrographolide (Standard)

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