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 174.1
[M+Na]+ 325.21380 181.6
[M-H]- 301.21730 177.2
[M+NH4]+ 320.25840 201.4
[M+K]+ 341.18774 175.6
[M+H-H2O]+ 285.22184 168.1
[M+HCOO]- 347.22278 183.4
[M+CH3COO]- 361.23843 184.0
[M+Na-2H]- 323.19925 177.2
[M]+ 302.22403 169.9
[M]- 302.22513 169.9
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.