CID 14258563

Gibberellin a20 13-glucoside

Structural Information

Molecular Formula
C25H34O10
SMILES
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)OC6C(C(C(C(O6)CO)O)O)O)C(=O)O)OC2=O
InChI
InChI=1S/C25H34O10/c1-11-8-23-10-24(11,34-20-17(29)16(28)15(27)12(9-26)33-20)7-4-13(23)25-6-3-5-22(2,21(32)35-25)18(25)14(23)19(30)31/h12-18,20,26-29H,1,3-10H2,2H3,(H,30,31)
InChIKey
ZXTKKUHKNXKMEL-UHFFFAOYSA-N
Compound name
11-methyl-6-methylidene-16-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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

0
Patents

494.2152 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.22248 203.2
[M+Na]+ 517.20442 204.0
[M+NH4]+ 512.24902 211.9
[M+K]+ 533.17836 202.7
[M-H]- 493.20792 202.5
[M+Na-2H]- 515.18987 199.2
[M]+ 494.21465 202.9
[M]- 494.21575 202.9
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.