CID 16061285

1-oh-3',4'-didehydrolycopene

Structural Information

Molecular Formula
C40H56O
SMILES
CC(=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)/CCCC(C)(C)O)/C)/C)/C)C
InChI
InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKey
SBVLKWMQRFTYPE-WRNKADOOSA-N
Compound name
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.4331 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.44038 231.3
[M+Na]+ 575.42232 245.7
[M-H]- 551.42582 231.0
[M+NH4]+ 570.46692 242.1
[M+K]+ 591.39626 247.8
[M+H-H2O]+ 535.43036 231.7
[M+HCOO]- 597.43130 232.6
[M+CH3COO]- 611.44695 253.5
[M+Na-2H]- 573.40777 224.0
[M]+ 552.43255 230.4
[M]- 552.43365 230.4
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.