CID 85267262

Annoglabasin f

Structural Information

Molecular Formula
C22H34O5
SMILES
CC(=O)OC1(CC23CCC4C(C2CCC1C3)(CCCC4(C)O)C)C(=O)OC
InChI
InChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3
InChIKey
XLXLWRGGUYSHOH-UHFFFAOYSA-N
Compound name
methyl 14-acetyloxy-5-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.24063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24791 192.1
[M+Na]+ 401.22985 197.2
[M+NH4]+ 396.27445 204.7
[M+K]+ 417.20379 187.0
[M-H]- 377.23335 191.4
[M+Na-2H]- 399.21530 193.9
[M]+ 378.24008 192.9
[M]- 378.24118 192.9
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.