CID 14191188

Yucalexin b22

Structural Information

Molecular Formula

C₂₀H₃₀O₃

SMILES

CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CC(C1O)O)C)C)C

InChI

InChI=1S/C20H30O3/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/h7-8,12-14,16,21,23H,5-6,9-11H2,1-4H3

InChIKey

ISQMANNAFDGSCG-UHFFFAOYSA-N

Compound name

6,7-dihydroxy-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: 318.21948 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.226756	176.8
[M+Na]+	341.208698	184.7
[M-H]-	317.212204	178.8
[M+NH4]+	336.253303	203.1
[M+K]+	357.182638	178.7
[M+H-H2O]+	301.216740	171.9
[M+HCOO]-	363.217681	184.7
[M+CH3COO]-	377.233331	186.3
[M+Na-2H]-	339.194146	179.6
[M]+	318.21893142	173.0
[M]-	318.22002858	173.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.