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]+ 407.242806 197.9
[M+Na]+ 429.224748 201.2
[M-H]- 405.228254 199.1
[M+NH4]+ 424.269353 219.9
[M+K]+ 445.198688 198.5
[M+H-H2O]+ 389.232790 193.3
[M+HCOO]- 451.233731 202.4
[M+CH3COO]- 465.249381 221.8
[M+Na-2H]- 427.210196 197.8
[M]+ 406.23498142 195.8
[M]- 406.23607858 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.