CID 536366

Ent-17-acetoxy-16b-kauran-19-al

Structural Information

Molecular Formula
C22H34O3
SMILES
CC(=O)OCC1CC23CCC4C(CCCC4(C2CCC1C3)C)(C)C=O
InChI
InChI=1S/C22H34O3/c1-15(24)25-13-17-12-22-10-7-18-20(2,14-23)8-4-9-21(18,3)19(22)6-5-16(17)11-22/h14,16-19H,4-13H2,1-3H3
InChIKey
AXCCTUATUTWPBD-UHFFFAOYSA-N
Compound name
(5-formyl-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2508 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 189.0
[M+Na]+ 369.24002 196.0
[M+NH4]+ 364.28462 201.9
[M+K]+ 385.21396 185.0
[M-H]- 345.24352 190.1
[M+Na-2H]- 367.22547 190.7
[M]+ 346.25025 190.5
[M]- 346.25135 190.5
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.