CID 14160532

Gibberellin a45

Structural Information

Molecular Formula
C19H24O5
SMILES
CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5O)C(=O)O)OC2=O
InChI
InChI=1S/C19H24O5/c1-9-10-4-5-11-18(8-10,14(9)20)12(15(21)22)13-17(2)6-3-7-19(11,13)24-16(17)23/h10-14,20H,1,3-8H2,2H3,(H,21,22)
InChIKey
MBNDVMTZEKAWKP-UHFFFAOYSA-N
Compound name
7-hydroxy-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

0
References

1
Patents

332.16238 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16966 176.2
[M+Na]+ 355.15160 183.1
[M-H]- 331.15510 180.0
[M+NH4]+ 350.19620 202.1
[M+K]+ 371.12554 177.9
[M+H-H2O]+ 315.15964 174.4
[M+HCOO]- 377.16058 183.8
[M+CH3COO]- 391.17623 185.9
[M+Na-2H]- 353.13705 175.2
[M]+ 332.16183 173.4
[M]- 332.16293 173.4
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.