CID 14160541

Gibberellin a66

Structural Information

Molecular Formula
C20H26O7
SMILES
CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C20H26O7/c1-9-10-4-5-11-19(17(26)27)7-3-6-18(2,16(24)25)13(19)12(15(22)23)20(11,8-10)14(9)21/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)
InChIKey
GYALTOSSVLCVLA-UHFFFAOYSA-N
Compound name
14-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

378.16785 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17513 187.8
[M+Na]+ 401.15707 192.5
[M-H]- 377.16057 186.5
[M+NH4]+ 396.20167 209.1
[M+K]+ 417.13101 187.9
[M+H-H2O]+ 361.16511 187.1
[M+HCOO]- 423.16605 191.4
[M+CH3COO]- 437.18170 212.4
[M+Na-2H]- 399.14252 185.5
[M]+ 378.16730 183.2
[M]- 378.16840 183.2
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.