CID 54718851

Ascorbyl isostearate

Structural Information

Molecular Formula
C24H42O7
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
InChI=1S/C24H42O7/c1-18(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(26)30-17-19(25)23-21(27)22(28)24(29)31-23/h18-19,23,25,27-28H,3-17H2,1-2H3/t19-,23+/m0/s1
InChIKey
ZBACKBRRIQPKDN-WMZHIEFXSA-N
Compound name
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

116
Patents

442.29306 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.30034 214.8
[M+Na]+ 465.28228 215.1
[M-H]- 441.28578 212.7
[M+NH4]+ 460.32688 222.4
[M+K]+ 481.25622 212.7
[M+H-H2O]+ 425.29032 207.7
[M+HCOO]- 487.29126 226.8
[M+CH3COO]- 501.30691 227.4
[M+Na-2H]- 463.26773 206.5
[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

patents stripe