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 197.9
[M+Na]+ 429.22475 201.2
[M-H]- 405.22825 199.1
[M+NH4]+ 424.26935 219.9
[M+K]+ 445.19869 198.5
[M+H-H2O]+ 389.23279 193.3
[M+HCOO]- 451.23373 202.4
[M+CH3COO]- 465.24938 221.8
[M+Na-2H]- 427.21020 197.8
[M]+ 406.23498 195.8
[M]- 406.23608 195.8
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.