CID 537596

Ent-16-kauren-19-ol acetate

Structural Information

Molecular Formula
C22H34O2
SMILES
CC(=O)OCC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C
InChI
InChI=1S/C22H34O2/c1-15-12-22-11-8-18-20(3,14-24-16(2)23)9-5-10-21(18,4)19(22)7-6-17(15)13-22/h17-19H,1,5-14H2,2-4H3
InChIKey
FNLMCLYZRZJKQZ-UHFFFAOYSA-N
Compound name
(5,9-dimethyl-14-methylidene-5-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

330.2559 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26318 186.3
[M+Na]+ 353.24512 193.9
[M+NH4]+ 348.28972 199.9
[M+K]+ 369.21906 182.4
[M-H]- 329.24862 188.0
[M+Na-2H]- 351.23057 188.4
[M]+ 330.25535 188.2
[M]- 330.25645 188.2
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.