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
2
Annotation Hits

1
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]+ 391.247906 194.9
[M+Na]+ 413.229848 199.0
[M-H]- 389.233354 197.5
[M+NH4]+ 408.274453 218.3
[M+K]+ 429.203788 195.5
[M+H-H2O]+ 373.237890 189.1
[M+HCOO]- 435.238831 201.8
[M+CH3COO]- 449.254481 220.9
[M+Na-2H]- 411.215296 195.5
[M]+ 390.24008142 193.3
[M]- 390.24117858 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.