CID 14191210

Yucalexin a16

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1(C2CCC34CC(C(CC3C2(CCC1=O)C)C=C4)(C)O)C
InChI
InChI=1S/C20H30O2/c1-17(2)14-6-10-20-9-5-13(19(4,22)12-20)11-15(20)18(14,3)8-7-16(17)21/h5,9,13-15,22H,6-8,10-12H2,1-4H3
InChIKey
AFZCVSRIUXFFJO-UHFFFAOYSA-N
Compound name
16-hydroxy-5,5,9,16-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadec-13-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 173.7
[M+Na]+ 325.21380 179.1
[M-H]- 301.21730 171.9
[M+NH4]+ 320.25840 200.8
[M+K]+ 341.18774 173.2
[M+H-H2O]+ 285.22184 164.6
[M+HCOO]- 347.22278 176.2
[M+CH3COO]- 361.23843 181.4
[M+Na-2H]- 323.19925 181.2
[M]+ 302.22403 171.4
[M]- 302.22513 171.4
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.