CID 443456

Gibberellin a9

Structural Information

Molecular Formula
C19H24O4
SMILES
CC12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O
InChI
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17?,18+,19-/m1/s1
InChIKey
MHVYWTXXZIFXDT-MMZROTCTSA-N
Compound name
(1R,2R,5R,8R,9S,10R)-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
3
Annotation Hits

0
References

46
Patents

316.16745 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17473 173.9
[M+Na]+ 339.15667 179.3
[M+NH4]+ 334.20127 186.4
[M+K]+ 355.13061 174.7
[M-H]- 315.16017 174.7
[M+Na-2H]- 337.14212 173.0
[M]+ 316.16690 174.9
[M]- 316.16800 174.9
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.