CID 14191199

Yucalexin p8

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1(C2CCC34C(O3)C(C(=O)C=C4C2(CC(=O)C1O)C)(C)C=C)C
InChI
InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3
InChIKey
OYQREFBZDOJEAT-UHFFFAOYSA-N
Compound name
13-ethenyl-6-hydroxy-5,5,9,13-tetramethyl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-10-ene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 176.3
[M+Na]+ 353.17232 189.2
[M+NH4]+ 348.21692 190.2
[M+K]+ 369.14626 177.6
[M-H]- 329.17582 187.0
[M+Na-2H]- 351.15777 184.5
[M]+ 330.18255 183.1
[M]- 330.18365 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.