CID 14191204

Yucalexin p17

Structural Information

Molecular Formula
C20H30O3
SMILES
CC1(C2CCC3=CC(C(CC3C2(CC(=O)C1O)C)O)(C)C=C)C
InChI
InChI=1S/C20H30O3/c1-6-19(4)10-12-7-8-15-18(2,3)17(23)14(21)11-20(15,5)13(12)9-16(19)22/h6,10,13,15-17,22-23H,1,7-9,11H2,2-5H3
InChIKey
OKNGHMJLXXXEEZ-UHFFFAOYSA-N
Compound name
7-ethenyl-2,6-dihydroxy-1,1,4a,7-tetramethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 174.5
[M+Na]+ 341.208698 182.1
[M-H]- 317.212204 176.5
[M+NH4]+ 336.253303 196.3
[M+K]+ 357.182638 176.9
[M+H-H2O]+ 301.216740 169.9
[M+HCOO]- 363.217681 183.7
[M+CH3COO]- 377.233331 207.9
[M+Na-2H]- 339.194146 176.3
[M]+ 318.21893142 170.1
[M]- 318.22002858 170.1
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

patents stripe