CID 131752092

16,16'-dihydroxylycopene

Structural Information

Molecular Formula
C40H56O2
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)\CC/C=C(\C)/CO)/C)\C)/CC/C=C(\C)/CO
InChI
InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9-,19-11-,20-12+,23-13-,24-14+,33-17-,34-18+,35-21-,36-22-,37-25+,38-26+,39-29+,40-30+
InChIKey
JEVVKJMRZMXFBT-BONGSULASA-N
Compound name
(2E,6E,8Z,10Z,12Z,14Z,16Z,18E,20E,22Z,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

568.42804 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.43532 237.1
[M+Na]+ 591.41726 243.3
[M+NH4]+ 586.46186 239.3
[M+K]+ 607.39120 242.0
[M-H]- 567.42076 234.5
[M+Na-2H]- 589.40271 241.3
[M]+ 568.42749 237.3
[M]- 568.42859 237.3
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.