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Neoandrographolide

CAT: 1568-C14005-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14005-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27215-14-1
SKU
C14005-1mg
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Smiles
CC1 (CCCC2 (C1CCC (=C) C2CCC3=CCOC3=O) C) COC4C (C (C (C (O4) CO) O) O) O
Molecular Formula
C26H40O8
Additionnal Information
Neoandrographolide, a principle diterpenoids isolated from A. paniculata, exerts 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.
Storage Conditions
3 years -20°C powder

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)
A14754-50Neoandrographolide 50mg

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