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]+ 331.263176 185.1
[M+Na]+ 353.245118 188.9
[M-H]- 329.248624 187.9
[M+NH4]+ 348.289723 209.4
[M+K]+ 369.219058 183.2
[M+H-H2O]+ 313.253160 178.3
[M+HCOO]- 375.254101 192.9
[M+CH3COO]- 389.269751 212.3
[M+Na-2H]- 351.230566 184.6
[M]+ 330.25535142 179.2
[M]- 330.25644858 179.2
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.