CID 90471614

Decaglyceryl dioleate

Structural Information

Molecular Formula
C66H126O23
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C66H126O23/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-65(77)88-53-63(75)51-86-49-61(73)47-84-45-59(71)43-82-41-57(69)39-80-37-55(67)35-79-36-56(68)38-81-40-58(70)42-83-44-60(72)46-85-48-62(74)50-87-52-64(76)54-89-66(78)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,55-64,67-76H,3-16,21-54H2,1-2H3/b19-17-,20-18-
InChIKey
XJXFLRWMYHIIKV-CLFAGFIQSA-N
Compound name
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

210
Patents

1286.869 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1287.8763 365.7
[M+Na]+ 1309.8582 358.2
[M+NH4]+ 1304.9028 374.0
[M+K]+ 1325.8322 372.1
[M-H]- 1285.8617 363.5
[M+Na-2H]- 1307.8437 359.6
[M]+ 1286.8685 366.0
[M]- 1286.8695 366.0
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