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Ginkgolide A

CAT: 0024-sc-205705CSize: 500 gDry Ice: NoHazardous: No
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CAT#:0024-sc-205705CSize:500 g
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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
Loading 3D structure...
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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