CID 171120049

Dgmg(16:1(3e)3me,7me,11me,15me)/0:0)

Structural Information

Molecular Formula
C35H66O13
SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/COC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)/C
InChI
InChI=1S/C35H66O13/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)15-16-44-18-25(37)19-45-34-33(43)31(41)29(39)27(48-34)20-46-35-32(42)30(40)28(38)26(17-36)47-35/h15,21-23,25-43H,6-14,16-20H2,1-5H3/b24-15+/t22?,23?,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35+/m1/s1
InChIKey
KFCDLPAQDMBDQW-NZPIXCFLSA-N
Compound name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-2-hydroxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.4503 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.45758 256.2
[M+Na]+ 717.43952 256.2
[M-H]- 693.44302 252.6
[M+NH4]+ 712.48412 259.3
[M+K]+ 733.41346 250.5
[M+H-H2O]+ 677.44756 244.1
[M+HCOO]- 739.44850 266.0
[M+CH3COO]- 753.46415 272.9
[M+Na-2H]- 715.42497 282.6
[M]+ 694.44975 263.5
[M]- 694.45085 263.5
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.