CID 291684

Yucalexin b9

Structural Information

Molecular Formula
C20H28O3
SMILES
CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CC(=O)C1O)C)C)C
InChI
InChI=1S/C20H28O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14,16,23H,5-6,9-11H2,1-4H3
InChIKey
KVDLINJXYLXARR-UHFFFAOYSA-N
Compound name
6-hydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 175.4
[M+Na]+ 339.19308 184.4
[M+NH4]+ 334.23768 189.9
[M+K]+ 355.16702 172.2
[M-H]- 315.19658 176.7
[M+Na-2H]- 337.17853 179.7
[M]+ 316.20331 177.6
[M]- 316.20441 177.6
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.