CID 85217363

Annoglabasin c

Structural Information

Molecular Formula
C23H34O6
SMILES
CC(=O)OC1(CC23CCC4C(C2CCC1C3)(CCCC4(C)C(=O)O)C)C(=O)OC
InChI
InChI=1S/C23H34O6/c1-14(24)29-23(19(27)28-4)13-22-11-8-16-20(2,17(22)7-6-15(23)12-22)9-5-10-21(16,3)18(25)26/h15-17H,5-13H2,1-4H3,(H,25,26)
InChIKey
USYOOQFISINJLZ-UHFFFAOYSA-N
Compound name
14-acetyloxy-14-methoxycarbonyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24281 196.8
[M+Na]+ 429.22475 200.8
[M+NH4]+ 424.26935 208.2
[M+K]+ 445.19869 191.7
[M-H]- 405.22825 195.0
[M+Na-2H]- 427.21020 197.8
[M]+ 406.23498 197.0
[M]- 406.23608 197.0
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.