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Ginkgolide A

CAT: 0024-sc-205705ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205705ASize:25 mg
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CAS Number
15291-75-5

Chemical Information

Ginkgolide A

Ginkgolide A is a highly active PAF antagonist cage molecule that is isolated from the leaves of the Ginkgo biloba tree. Shows potential in a wide variety of inflammatory and immunological disorders.

CAS Number15291-75-5
PubChem CID9909368
IUPAC Name(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular FormulaC20H24O9
Molecular Weight408.4
XLogP0.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity893
SMILES
C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
InChI
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1
InChIKey
FPUXKXIZEIDQKW-VKMVSBOZSA-N
Chemical Structure
2D Structure
2D structure of Ginkgolide A
CAS: 15291-75-5
CID: 9909368
Formula: C20H24O9
MW: 408.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass408.14203234
Monoisotopic Mass408.14203234
Topological Polar Surface Area129 Ų
Heavy Atom Count29
Formal Charge0
Complexity893
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

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