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]+ 303.231856 173.7
[M+Na]+ 325.213798 179.1
[M-H]- 301.217304 171.9
[M+NH4]+ 320.258403 200.8
[M+K]+ 341.187738 173.2
[M+H-H2O]+ 285.221840 164.6
[M+HCOO]- 347.222781 176.2
[M+CH3COO]- 361.238431 181.4
[M+Na-2H]- 323.199246 181.2
[M]+ 302.22403142 171.4
[M]- 302.22512858 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.