CID 73657053

Annoglabasin a

Structural Information

Molecular Formula
C23H34O5
SMILES
CC(=O)OC1(CC23CCC4C(CCCC4(C2CCC1C3)C)(C)C=O)C(=O)OC
InChI
InChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3
InChIKey
GBAYHCBQSSWKTG-UHFFFAOYSA-N
Compound name
methyl 14-acetyloxy-5-formyl-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

390.24063 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.24791 194.9
[M+Na]+ 413.22985 199.0
[M-H]- 389.23335 197.5
[M+NH4]+ 408.27445 218.3
[M+K]+ 429.20379 195.5
[M+H-H2O]+ 373.23789 189.1
[M+HCOO]- 435.23883 201.8
[M+CH3COO]- 449.25448 220.9
[M+Na-2H]- 411.21530 195.5
[M]+ 390.24008 193.3
[M]- 390.24118 193.3
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.