CID 131751043

Citreoviridin d

Structural Information

Molecular Formula
C24H32O6
SMILES
CC1C(C(C(O1)(C)/C=C(\C)/C=C\C=C\C=C/C2=C(C(=C(C(=O)O2)C)OC)C)O)(C)O
InChI
InChI=1S/C24H32O6/c1-15(14-23(5)22(26)24(6,27)18(4)30-23)12-10-8-9-11-13-19-16(2)20(28-7)17(3)21(25)29-19/h8-14,18,22,26-27H,1-7H3/b9-8+,12-10-,13-11-,15-14+
InChIKey
WQOZGNFAVRFSGE-ULPXYLRASA-N
Compound name
6-[(1Z,3E,5Z,7E)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3,5-dimethylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21988 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22716 198.2
[M+Na]+ 439.20910 207.5
[M+NH4]+ 434.25370 203.6
[M+K]+ 455.18304 201.4
[M-H]- 415.21260 199.9
[M+Na-2H]- 437.19455 200.0
[M]+ 416.21933 200.0
[M]- 416.22043 200.0
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.