CID 14191181

Yucalexin b16

Structural Information

Molecular Formula
C20H28O2
SMILES
CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CCC1=O)C)C)C
InChI
InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKey
ZUZSPZMYVHKHKO-UHFFFAOYSA-N
Compound name
5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.20892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 174.0
[M+Na]+ 323.19814 183.6
[M+NH4]+ 318.24274 189.4
[M+K]+ 339.17208 170.4
[M-H]- 299.20164 176.2
[M+Na-2H]- 321.18359 179.2
[M]+ 300.20837 176.6
[M]- 300.20947 176.6
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.