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Chaparrinone

CAT: 0931-T79984-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79984-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22611-34-3
Target
Parasite, Antiviral, TMV
Related Pathways
Microbiology/Virology, Immunology/Inflammation
Bioactivity
Chaparrinone, a bittersweet analog from Ailanthus altissima (Mill.), has antimalarial, antitumor, and antiviral activities and has been used in the study of tobacco mosaic virus infections and SARS virus infections.
Smiles
C[C@@]12[C@@]3([C@@]45[C@@](C[C@]1(C(C)=CC(=O)[C@H]2O)[H])(OC(=O)C[C@]4([C@@H](C)[C@@H](O)[C@]3(O)OC5)[H])[H])[H]
Molecular Formula
C20H26O7
Molecular Weight
378.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chaparrinone

Chaparrinone is a triterpenoid.

CAS Number22611-34-3
PubChem CID73154
IUPAC Name(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Molecular FormulaC20H26O7
Molecular Weight378.4
XLogP-0.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity776
SMILES
C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O
InChI
InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
InChIKey
VLYMLZRDCSQUQF-RZUZYEBMSA-N
Chemical Structure
2D Structure
2D structure of Chaparrinone
CAS: 22611-34-3
CID: 73154
Formula: C20H26O7
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass378.16785316
Monoisotopic Mass378.16785316
Topological Polar Surface Area113 Ų
Heavy Atom Count27
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5821643Chaparrinone

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