CID 131787136

Cl(i-12:0/18:2(9z,11z)/a-13:0/a-13:0)[rac]

Structural Information

Molecular Formula
C65H122O17P2
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC)O
InChI
InChI=1S/C65H122O17P2/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-34-41-48-64(69)81-60(52-75-62(67)46-39-32-26-23-29-36-43-56(4)5)54-79-83(71,72)77-50-59(66)51-78-84(73,74)80-55-61(82-65(70)49-42-35-28-25-31-38-45-58(7)10-3)53-76-63(68)47-40-33-27-24-30-37-44-57(6)9-2/h15-18,56-61,66H,8-14,19-55H2,1-7H3,(H,71,72)(H,73,74)/b16-15-,18-17-/t57?,58?,59-,60+,61+/m0/s1
InChIKey
TUCYNPLJUCYVFU-DNVMANKKSA-N
Compound name
[(2R)-1-[[(2R)-3-[[(2R)-2,3-bis(10-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1236.8157 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1237.8230 375.0
[M+Na]+ 1259.8049 371.9
[M+NH4]+ 1254.8495 389.1
[M+K]+ 1275.7789 380.1
[M-H]- 1235.8084 370.8
[M+Na-2H]- 1257.7904 369.4
[M]+ 1236.8152 376.6
[M]- 1236.8162 376.6
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

No patent data available for this compound.