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Coronarin D methyl ether

CAT: 0013-GTR19180116Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180116Size:5 mg
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Description
Coronarin D methyl ether is a bioactive labdane diterpenoid that suppresses vascular hyperpermeability and nitric oxide (NO) production by inhibiting inducible nitric oxide synthase (iNOS) expression. It serves as a valuable research tool for studying inflammatory pathways in both cellular and animal models of inflammation.
CAS Number
157528-81-9
Field of Research
Immunology & Inflammation, Neuroscience, Signal Transduction
Smiles
COC1CC (=CCC2C (=C) CCC3C (C) (C) CCCC23C) C (=O) O1 |w:5.5|
Molecular Formula
C21H32O3
Molecular Weight
332.484
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coronarin D Methyl Ether

Coronarin D Methyl Ether has been reported in Wurfbainia villosa with data available.

CAS Number157528-81-9
PubChem CID102004387
IUPAC Name(3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-methoxyoxolan-2-one
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP5.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity559
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C/3\CC(OC3=O)OC)(C)C
InChI
InChI=1S/C21H32O3/c1-14-7-10-17-20(2,3)11-6-12-21(17,4)16(14)9-8-15-13-18(23-5)24-19(15)22/h8,16-18H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17-,18?,21+/m0/s1
InChIKey
AXVHMYNDGVQIQD-CDRZHGAUSA-N
Chemical Structure
2D Structure
2D structure of Coronarin D Methyl Ether
CAS: 157528-81-9
CID: 102004387
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area35.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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