CID 68446743

1,2-didodecanoyl-3-beta-d-galactosyl-sn-glycerol

Structural Information

Molecular Formula
C33H62O10
SMILES
CCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C33H62O10/c1-3-5-7-9-11-13-15-17-19-21-28(35)40-24-26(25-41-33-32(39)31(38)30(37)27(23-34)43-33)42-29(36)22-20-18-16-14-12-10-8-6-4-2/h26-27,30-34,37-39H,3-25H2,1-2H3/t26-,27-,30+,31+,32-,33-/m1/s1
InChIKey
BIOJTMVLNXQLNJ-ZAUOLEOUSA-N
Compound name
[(2S)-2-dodecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

618.4343 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.44158 257.8
[M+Na]+ 641.42352 256.5
[M+NH4]+ 636.46812 256.3
[M+K]+ 657.39746 255.6
[M-H]- 617.42702 248.5
[M+Na-2H]- 639.40897 257.3
[M]+ 618.43375 254.7
[M]- 618.43485 254.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe