CID 14191186

Yucalexin b14

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CCC1O)C)C)C
InChI
InChI=1S/C20H30O2/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/h9-10,13-15,21H,5-8,11-12H2,1-4H3
InChIKey
JPKPHLVETUEKFT-UHFFFAOYSA-N
Compound name
6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 174.4
[M+Na]+ 325.21380 183.4
[M+NH4]+ 320.25840 189.7
[M+K]+ 341.18774 170.6
[M-H]- 301.21730 176.4
[M+Na-2H]- 323.19925 179.2
[M]+ 302.22403 176.8
[M]- 302.22513 176.8
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.