CID 14191212

Yucalexin a19

Structural Information

Molecular Formula
C20H30O3
SMILES
CC1(C2CCC34CC(C(CC3C2(CC(=O)C1O)C)C=C4)(C)O)C
InChI
InChI=1S/C20H30O3/c1-17(2)14-6-8-20-7-5-12(19(4,23)11-20)9-15(20)18(14,3)10-13(21)16(17)22/h5,7,12,14-16,22-23H,6,8-11H2,1-4H3
InChIKey
JHXMMAKVDKZILM-UHFFFAOYSA-N
Compound name
6,16-dihydroxy-5,5,9,16-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadec-13-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 177.2
[M+Na]+ 341.208698 183.1
[M-H]- 317.212204 174.3
[M+NH4]+ 336.253303 203.3
[M+K]+ 357.182638 177.3
[M+H-H2O]+ 301.216740 169.1
[M+HCOO]- 363.217681 178.2
[M+CH3COO]- 377.233331 184.5
[M+Na-2H]- 339.194146 184.4
[M]+ 318.21893142 175.4
[M]- 318.22002858 175.4
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.