CID 14191192

Yucalexin b20

Structural Information

Molecular Formula
C20H30O3
SMILES
CC1(C2CCC34CC(C=C3)(C(CC4C2(CC(=O)C1O)C)O)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/h7-8,13-16,22-23H,5-6,9-11H2,1-4H3
InChIKey
RFHATUKAQMWSEN-UHFFFAOYSA-N
Compound name
6,12-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 176.8
[M+Na]+ 341.20870 184.7
[M-H]- 317.21220 178.8
[M+NH4]+ 336.25330 203.1
[M+K]+ 357.18264 178.7
[M+H-H2O]+ 301.21674 171.9
[M+HCOO]- 363.21768 184.7
[M+CH3COO]- 377.23333 186.3
[M+Na-2H]- 339.19415 179.6
[M]+ 318.21893 173.0
[M]- 318.22003 173.0
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.