CID 10992484

Gibberellin a32

Structural Information

Molecular Formula
C19H22O8
SMILES
C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3C[C@@H]([C@](C4)(C(=C)[C@H]5O)O)O)C(=O)O)OC2=O)O
InChI
InChI=1S/C19H22O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h3-4,8-13,20-22,26H,1,5-6H2,2H3,(H,23,24)/t8-,9+,10+,11-,12-,13-,16-,17-,18+,19-/m1/s1
InChIKey
AASAENAURCLYSI-VXURTKDUSA-N
Compound name
(1R,2R,4S,5S,7S,8R,9S,10R,11S,12S)-4,5,7,12-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

116
Patents

378.13147 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13875 181.0
[M+Na]+ 401.12069 189.7
[M-H]- 377.12419 182.1
[M+NH4]+ 396.16529 205.2
[M+K]+ 417.09463 184.8
[M+H-H2O]+ 361.12873 181.9
[M+HCOO]- 423.12967 185.6
[M+CH3COO]- 437.14532 211.3
[M+Na-2H]- 399.10614 182.7
[M]+ 378.13092 181.1
[M]- 378.13202 181.1
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.