CID 53477761

5,6-dihydro-5,6-dihydroxy-y,y-carotene

Structural Information

Molecular Formula
C40H60O2
SMILES
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC(C(C)(CCC=C(C)C)O)O)/C)/C)/C)C
InChI
InChI=1S/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+
InChIKey
SAQBOLDBFLXXPW-MRGSADCMSA-N
Compound name
(10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,24,26,30-undecaene-6,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

572.45935 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.46663 236.2
[M+Na]+ 595.44857 241.8
[M+NH4]+ 590.49317 239.4
[M+K]+ 611.42251 239.7
[M-H]- 571.45207 232.9
[M+Na-2H]- 593.43402 240.2
[M]+ 572.45880 236.2
[M]- 572.45990 236.2
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.