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Neoandrographolide

CAT: 0013-GTR19159784-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159784-03Size:10 mg
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Description
Neoandrographolide is one of the principle diterpenoids isolated from A. paniculata, a well-recognized medicinal plant in Asia. Extracts from A. paniculata have been reported to exert a wide range of therapeutic actions, including immunosuppressant, antithrombotic, anti-inflammatory, antineoplastic, anti-viral, anti-bacterial, anti-diabetic, anti-oxidative stress, antipyretic, anti-edematogenic, and anti-nociceptive activities.
CAS Number
27215-14-1
Product Name Alternative
Neoandrographolide
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (208.08 mM)
Smiles
O1CC=C (C1=O) CC[C@@H]1C (=C) CC[C@@H]2[C@@] (CCC[C@@]12C) (CO[C@@H]1O[C@@H] ([C@H] ([C@@H] ([C@H]1O) O) O) CO) C
Molecular Formula
C26H40O8
Molecular Weight
480.6
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3- (2- ((1R,4aS,5R,8aS) -5,8a-dimethyl-2-methylene-5- ((((2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) methyl) decahydronaphthalen-1-yl) ethyl) furan-2 (5H) -one

Chemical Information

Neoandrographolide

Neoandrographolide is a diterpene glycoside.

CAS Number27215-14-1
PubChem CID9848024
IUPAC Name4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Molecular FormulaC26H40O8
Molecular Weight480.6
XLogP2.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity811
SMILES
C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChIKey
YGCYRQKJYWQXHG-RDNQFMDVSA-N
Chemical Structure
2D Structure
2D structure of Neoandrographolide
CAS: 27215-14-1
CID: 9848024
Formula: C26H40O8
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass480.27231823
Monoisotopic Mass480.27231823
Topological Polar Surface Area126 Ų
Heavy Atom Count34
Formal Charge0
Complexity811
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

Alternative Products

CatalogName
TRC-N389913-25MGNeoandrographolide
A14754-25Neoandrographolide 25mg
A14754-1Neoandrographolide 1mg
A14754-100Neoandrographolide 100mg
HY-N0721RNeoandrographolide (Standard)

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