CID 92037871

Decaglyceryl tetraoleate

Structural Information

Molecular Formula
C102H190O25
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C102H190O25/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-99(111)124-87-97(126-101(113)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)85-122-83-95(109)81-120-79-93(107)77-118-75-91(105)73-116-71-89(103)69-115-70-90(104)72-117-74-92(106)76-119-78-94(108)80-121-82-96(110)84-123-86-98(127-102(114)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-125-100(112)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,89-98,103-110H,5-32,41-88H2,1-4H3/b37-33-,38-34-,39-35-,40-36-
InChIKey
NGHUOSKIZOQGBY-PMDAXIHYSA-N
Compound name
[3-[3-[3-[3-[3-[3-[3-[3-[3-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

512
Patents

1815.3596 Da
Monoisotopic Mass

23.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1816.3669 447.1
[M+Na]+ 1838.3488 437.4
[M+NH4]+ 1833.3934 457.3
[M+K]+ 1854.3228 456.9
[M-H]- 1814.3523 439.8
[M+Na-2H]- 1836.3343 434.6
[M]+ 1815.3591 447.4
[M]- 1815.3601 447.4
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