CID 9909368

Ginkgolide a

Structural Information

Molecular Formula
C20H24O9
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
Compound 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
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

103
References

964
Patents

408.14203 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14931 177.6
[M+Na]+ 431.13125 186.6
[M-H]- 407.13475 187.9
[M+NH4]+ 426.17585 202.6
[M+K]+ 447.10519 186.8
[M+H-H2O]+ 391.13929 186.9
[M+HCOO]- 453.14023 186.1
[M+CH3COO]- 467.15588 189.4
[M+Na-2H]- 429.11670 179.8
[M]+ 408.14148 185.5
[M]- 408.14258 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.