CID 12310181

Gibberellin a54

Structural Information

Molecular Formula
C19H24O6
SMILES
CC12C(CC(C3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O)O
InChI
InChI=1S/C19H24O6/c1-8-6-18-7-9(8)3-4-10(18)19-12(21)5-11(20)17(2,16(24)25-19)14(19)13(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)
InChIKey
ZGHAVKULRAPSKM-UHFFFAOYSA-N
Compound name
12,14-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

348.1573 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16458 176.7
[M+Na]+ 371.14652 180.7
[M+NH4]+ 366.19112 187.3
[M+K]+ 387.12046 178.3
[M-H]- 347.15002 175.6
[M+Na-2H]- 369.13197 173.9
[M]+ 348.15675 176.8
[M]- 348.15785 176.8
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.