CID 53798634

(r)-1-((2s,3r,4s)-3,4-dihydroxytetrahydrofuran-2-yl)-2-hydroxyethyl 16-methylheptadecanoate

Structural Information

Molecular Formula
C24H46O6
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C24H46O6/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(27)30-21(17-25)24-23(28)20(26)18-29-24/h19-21,23-26,28H,3-18H2,1-2H3/t20-,21+,23+,24+/m0/s1
InChIKey
FGUZFFWTBWJBIL-XWVZOOPGSA-N
Compound name
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15226
Patents

430.32944 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.336716 216.1
[M+Na]+ 453.318658 214.4
[M-H]- 429.322164 213.1
[M+NH4]+ 448.363263 224.0
[M+K]+ 469.292598 212.1
[M+H-H2O]+ 413.326700 208.9
[M+HCOO]- 475.327641 226.2
[M+CH3COO]- 489.343291 225.0
[M+Na-2H]- 451.304106 207.3
[M]+ 430.32889142 220.9
[M]- 430.32998858 220.9
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