CID 165362818

[1-hydroxy-3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxy-2-octadeca-9,12-dienoyloxypropoxy)-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]propan-2-yl] octadeca-9,12-dienoate

Structural Information

Molecular Formula
C210H362O31
SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI
InChI=1S/C210H362O31/c1-11-21-31-41-51-61-71-81-91-101-111-121-131-141-151-161-201(213)232-191(171-211)173-223-175-193(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)176-224-174-192(172-212)233-202(214)162-152-142-132-122-112-102-92-82-72-62-52-42-32-22-12-2/h51-70,81-100,191-200,211-212H,11-50,71-80,101-190H2,1-10H3
InChIKey
PCSVPANSTHPUTK-UHFFFAOYSA-N
Compound name
[1-hydroxy-3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxy-2-octadeca-9,12-dienoyloxypropoxy)-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]-2-octadeca-9,12-dienoyloxypropoxy]propan-2-yl] octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

3380.675 Da
Monoisotopic Mass

65.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 3381.6823 646.2
[M+Na]+ 3403.6642 646.3
[M-H]- 3379.6677 639.3
[M+NH4]+ 3398.7088 684.1
[M+K]+ 3419.6382 674.2
[M+H-H2O]+ 3363.6723 651.2
[M+HCOO]- 3425.6732 599.2
[M+CH3COO]- 3439.6889 392.7
[M+Na-2H]- 3401.6497 612.6
[M]+ 3380.6745 757.3
[M]- 3380.6755 757.3
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

No patent data available for this compound.