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 195.6
[M+Na]+ 413.22985 201.0
[M+NH4]+ 408.27445 208.1
[M+K]+ 429.20379 190.3
[M-H]- 389.23335 195.1
[M+Na-2H]- 411.21530 197.7
[M]+ 390.24008 196.5
[M]- 390.24118 196.5
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.