CID 123131919

Decaglyceryl decastearate

Structural Information

Molecular Formula
C210H402O31
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C210H402O31/c1-11-21-31-41-51-61-71-81-91-101-111-121-131-141-151-161-201(213)232-173-191(211)171-223-175-193(234-203(215)163-153-143-133-123-113-103-93-83-73-63-53-43-33-23-13-3)177-225-179-195(236-205(217)165-155-145-135-125-115-105-95-85-75-65-55-45-35-25-15-5)181-227-183-197(238-207(219)167-157-147-137-127-117-107-97-87-77-67-57-47-37-27-17-7)185-229-187-199(240-209(221)169-159-149-139-129-119-109-99-89-79-69-59-49-39-29-19-9)189-231-190-200(241-210(222)170-160-150-140-130-120-110-100-90-80-70-60-50-40-30-20-10)188-230-186-198(239-208(220)168-158-148-138-128-118-108-98-88-78-68-58-48-38-28-18-8)184-228-182-196(237-206(218)166-156-146-136-126-116-106-96-86-76-66-56-46-36-26-16-6)180-226-178-194(235-204(216)164-154-144-134-124-114-104-94-84-74-64-54-44-34-24-14-4)176-224-172-192(212)174-233-202(214)162-152-142-132-122-112-102-92-82-72-62-52-42-32-22-12-2/h191-200,211-212H,11-190H2,1-10H3
InChIKey
ZQHDBIHAVWMCHD-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[3-[3-[3-[3-[3-[3-[3-[3-(2-hydroxy-3-octadecanoyloxypropoxy)-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]-2-octadecanoyloxypropoxy]propyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

463
Patents

3420.988 Da
Monoisotopic Mass

81.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 3421.9953 678.4
[M+Na]+ 3443.9772 672.8
[M-H]- 3419.9807 663.2
[M+NH4]+ 3439.0218 715.1
[M+K]+ 3459.9512 705.2
[M+H-H2O]+ 3403.9853 682.7
[M+HCOO]- 3465.9862 623.8
[M+CH3COO]- 3480.0019 374.6
[M+Na-2H]- 3441.9627 639.1
[M]+ 3420.9875 790.4
[M]- 3420.9885 790.4
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