CID 102303871

Nonaflavuxanthin

Structural Information

Molecular Formula
C45H64O
SMILES
CC(=CCC/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)/CCC(C/C=C(\C)/CO)C(=C)C)/C)/C)/C)C
InChI
InChI=1S/C45H64O/c1-36(2)19-14-22-40(7)25-17-28-41(8)26-15-23-38(5)20-12-13-21-39(6)24-16-27-42(9)29-18-30-43(10)31-33-45(37(3)4)34-32-44(11)35-46/h12-13,15-21,23-30,32,45-46H,3,14,22,31,33-35H2,1-2,4-11H3/b13-12+,23-15+,24-16+,28-17+,29-18+,38-20+,39-21+,40-25+,41-26+,42-27+,43-30+,44-32+
InChIKey
DVCGBQVEWVCRNX-WJDABEKTSA-N
Compound name
(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,8,12,16,21,25,29,33-octamethyl-5-prop-1-en-2-yltetratriaconta-2,8,10,12,14,16,18,20,22,24,26,28,32-tridecaen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

620.4957 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.50298 251.5
[M+Na]+ 643.48492 257.8
[M+NH4]+ 638.52952 255.4
[M+K]+ 659.45886 257.3
[M-H]- 619.48842 249.6
[M+Na-2H]- 641.47037 255.1
[M]+ 620.49515 252.3
[M]- 620.49625 252.3
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.