CID 133065430

Isolan is

Structural Information

Molecular Formula
C25H48O7
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC)O)O)O
InChI
InChI=1S/C25H48O7/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(26)31-18-20-22(27)23(28)24(29)25(30-3)32-20/h19-20,22-25,27-29H,4-18H2,1-3H3/t20-,22-,23+,24-,25?/m1/s1
InChIKey
FQDOYQZLFOUVLE-JUIXOQOVSA-N
Compound name
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

460.34 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.34728 219.9
[M+Na]+ 483.32922 218.9
[M-H]- 459.33272 217.1
[M+NH4]+ 478.37382 225.3
[M+K]+ 499.30316 217.0
[M+H-H2O]+ 443.33726 212.0
[M+HCOO]- 505.33820 228.8
[M+CH3COO]- 519.35385 232.6
[M+Na-2H]- 481.31467 211.9
[M]+ 460.33945 226.0
[M]- 460.34055 226.0
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