CID 65243

Ginkgolide b

Structural Information

Molecular Formula
C20H24O10
SMILES
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
InChI
InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
InChIKey
SQOJOAFXDQDRGF-UHFFFAOYSA-N
Compound name
8-tert-butyl-6,12,17-trihydroxy-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
4
Annotation Hits

907
References

2159
Patents

424.13693 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14421 170.7
[M+Na]+ 447.12615 172.1
[M+NH4]+ 442.17075 179.9
[M+K]+ 463.10009 179.1
[M-H]- 423.12965 171.7
[M+Na-2H]- 445.11160 168.0
[M]+ 424.13638 171.3
[M]- 424.13748 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe