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Technical details about Ginkgolide A, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Ginkgolide a, 15291-75-5, Prestwick_645, Prestwick0_000444, Prestwick1_000444, Prestwick2_000444
Molecular Formula
C20H24O9
Molecular Weight
408.4  g/mol
InChI Key
FPUXKXIZEIDQKW-ZJZLDMJOSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,6R,8S,10R,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
2.1.2 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
2.1.3 InChI Key
FPUXKXIZEIDQKW-ZJZLDMJOSA-N
2.1.4 Canonical SMILES
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
2.1.5 Isomeric SMILES
C[C@@H]1C(=O)O[C@@H]2[C@]1(C34C(=O)O[C@H]5C3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Bn 52020

2. Bn-52020

3. Bn52020

4. Ginkgolide A

2.2.2 Depositor-Supplied Synonyms

1. Ginkgolide A

2. 15291-75-5

3. Prestwick_645

4. Prestwick0_000444

5. Prestwick1_000444

6. Prestwick2_000444

7. Spbio_002427

8. Chebi:95143

9. Hms1569i10

10. Lsm-6414

11. Ncgc00386183-01

12. Ginkgolide A, Primary Pharmaceutical Reference Standard

13. Q27166934

14. Ginkgolide A From Ginkgo Biloba Leaves, Analytical Standard, >=90% (hplc)

2.3 Create Date
2006-04-14
3 Chemical and Physical Properties
Molecular Weight 408.4 g/mol
Molecular Formula C20H24O9
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass408.14203234 g/mol
Monoisotopic Mass408.14203234 g/mol
Topological Polar Surface Area129 Ų
Heavy Atom Count29
Formal Charge0
Complexity893
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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