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14-Epiandrographolide

CAT: 1410-M33083-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33083-02Size:5 mg
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Description
14-Epiandrographolide is a compound derived from the above-ground parts of Andrographis paniculata that induces cell differentiation and can be used in the study of multiple sclerosis.
CAS Number
142037-79-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
350.45
Molecular Formula
C20H30O5
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

14-Epiandrographolide

14-Epiandrographolide, >=95% (LC/MS-ELSD) is a gamma-lactone.

CAS Number142037-79-4
PubChem CID11869597
IUPAC Name(3E,4R)-3-[2-[(1R,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]-4-hydroxyoxolan-2-one
Molecular FormulaC20H30O5
Molecular Weight350.4
XLogP2.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity597
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@H](COC3=O)O)(C)CO)O
InChI
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15+,16+,17-,19+,20+/m1/s1
InChIKey
BOJKULTULYSRAS-NPWGMBKGSA-N
Chemical Structure
2D Structure
2D structure of 14-Epiandrographolide
CAS: 142037-79-4
CID: 11869597
Formula: C20H30O5
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass350.20932405
Monoisotopic Mass350.20932405
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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