CID 16061310

1,1'-(oh)2-2-keto-3,4,3',4'-tetradehydrolycopene

Structural Information

Molecular Formula
C40H54O3
SMILES
C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)C(C)(C)O)\C)\C)/C=C/CC(C)(C)O
InChI
InChI=1S/C40H54O3/c1-32(20-13-22-34(3)24-15-26-36(5)28-17-31-39(7,8)42)18-11-12-19-33(2)21-14-23-35(4)25-16-27-37(6)29-30-38(41)40(9,10)43/h11-30,42-43H,31H2,1-10H3/b12-11+,20-13+,21-14+,24-15+,25-16+,28-17+,30-29+,32-18+,33-19+,34-22+,35-23+,36-26+,37-27+
InChIKey
FCVLQCIPPMSBEB-XRAPVDLYSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.4073 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.41458 227.4
[M+Na]+ 605.39652 240.0
[M-H]- 581.40002 231.1
[M+NH4]+ 600.44112 239.2
[M+K]+ 621.37046 243.0
[M+H-H2O]+ 565.40456 225.3
[M+HCOO]- 627.40550 228.7
[M+CH3COO]- 641.42115 254.2
[M+Na-2H]- 603.38197 219.8
[M]+ 582.40675 227.0
[M]- 582.40785 227.0
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

No patent data available for this compound.