CID 14833726

Gibberellin a39

Structural Information

Molecular Formula
C20H26O8
SMILES
CC1(C(CCC2(C1C(C34C2CC(C(C3)C(=C)C4)O)C(=O)O)C(=O)O)O)C(=O)O
InChI
InChI=1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)
InChIKey
LKLDZCIWUDJQCF-UHFFFAOYSA-N
Compound name
5,11-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

394.16278 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17006 185.5
[M+Na]+ 417.15200 187.0
[M+NH4]+ 412.19660 192.9
[M+K]+ 433.12594 185.2
[M-H]- 393.15550 180.1
[M+Na-2H]- 415.13745 181.7
[M]+ 394.16223 183.7
[M]- 394.16333 183.7
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

No patent data available for this compound.