CID 131751129

Gibberellin a105

Structural Information

Molecular Formula
C19H22O5
SMILES
CC12CC(CC3(C1C(C45C36C4C(=C)C(C5)CC6)C(=O)O)OC2=O)O
InChI
InChI=1S/C19H22O5/c1-8-9-3-4-18-12(8)17(18,5-9)11(14(21)22)13-16(2)6-10(20)7-19(13,18)24-15(16)23/h9-13,20H,1,3-7H2,2H3,(H,21,22)
InChIKey
LFUHRHARIGPIGN-UHFFFAOYSA-N
Compound name
13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxahexacyclo[9.3.2.15,8.01,10.02,7.02,8]heptadecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.14673 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 170.8
[M+Na]+ 353.13595 178.6
[M+NH4]+ 348.18055 185.7
[M+K]+ 369.10989 173.8
[M-H]- 329.13945 177.2
[M+Na-2H]- 351.12140 170.6
[M]+ 330.14618 175.4
[M]- 330.14728 175.4
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.