CID 54725318

Ascorbyl stearate

Structural Information

Molecular Formula
C24H42O7
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3/t19-,23+/m0/s1
InChIKey
LITUBCVUXPBCGA-WMZHIEFXSA-N
Compound name
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

19
References

13547
Patents

442.29306 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.30034 214.1
[M+Na]+ 465.28228 214.6
[M-H]- 441.28578 211.9
[M+NH4]+ 460.32688 221.8
[M+K]+ 481.25622 211.7
[M+H-H2O]+ 425.29032 206.8
[M+HCOO]- 487.29126 227.1
[M+CH3COO]- 501.30691 226.5
[M+Na-2H]- 463.26773 207.1
[M]+ 442.29251 222.1
[M]- 442.29361 222.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.