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 174.1
[M+Na]+ 339.19308 182.7
[M-H]- 315.19658 177.6
[M+NH4]+ 334.23768 201.1
[M+K]+ 355.16702 176.9
[M+H-H2O]+ 299.20112 168.9
[M+HCOO]- 361.20206 183.8
[M+CH3COO]- 375.21771 184.4
[M+Na-2H]- 337.17853 177.4
[M]+ 316.20331 171.3
[M]- 316.20441 171.3
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.