CID 16061287

1,1'-(oh)2-3,4-didehydrolycopene

Structural Information

Molecular Formula
C40H58O2
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\CC(C)(C)O)\C)\C)/CCCC(C)(C)O
InChI
InChI=1S/C40H58O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-17,19-29,41-42H,18,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKey
NJDYXCXZPKNDPR-ABMRICDRSA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaene-2,31-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

570.44366 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.45094 229.3
[M+Na]+ 593.43288 240.9
[M-H]- 569.43638 229.5
[M+NH4]+ 588.47748 238.1
[M+K]+ 609.40682 244.2
[M+H-H2O]+ 553.44092 226.4
[M+HCOO]- 615.44186 231.5
[M+CH3COO]- 629.45751 253.8
[M+Na-2H]- 591.41833 220.4
[M]+ 570.44311 228.9
[M]- 570.44421 228.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.