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
2
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 510.7
[M+Na]+ 3443.9772 497.7
[M+NH4]+ 3439.0218 521.3
[M+K]+ 3459.9512 521.3
[M-H]- 3419.9807 494.1
[M+Na-2H]- 3441.9627 491.7
[M]+ 3420.9875 510.0
[M]- 3420.9885 510.0
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