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

87
Patents

442.29306 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.300336 214.8
[M+Na]+ 465.282278 215.1
[M-H]- 441.285784 212.7
[M+NH4]+ 460.326883 222.4
[M+K]+ 481.256218 212.7
[M+H-H2O]+ 425.290320 207.7
[M+HCOO]- 487.291261 226.8
[M+CH3COO]- 501.306911 227.4
[M+Na-2H]- 463.267726 206.5
[M]+ 442.29251142 222.1
[M]- 442.29360858 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