CID 14160539

Gibberellin a65

Structural Information

Molecular Formula
C20H26O6
SMILES
CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4O)C(=O)O)C=O)C(=O)O
InChI
InChI=1S/C20H26O6/c1-10-11-4-5-12-19(9-21)7-3-6-18(2,17(25)26)14(19)13(16(23)24)20(12,8-11)15(10)22/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)
InChIKey
XIYAYYIGCSWTQO-UHFFFAOYSA-N
Compound name
8-formyl-14-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.17294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 183.2
[M+Na]+ 385.16216 186.8
[M+NH4]+ 380.20676 192.7
[M+K]+ 401.13610 182.2
[M-H]- 361.16566 180.0
[M+Na-2H]- 383.14761 181.4
[M]+ 362.17239 182.5
[M]- 362.17349 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.