CID 10314695

Rosiridin

Structural Information

Molecular Formula
C16H28O7
SMILES
CC(=CCC(/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)O)C
InChI
InChI=1S/C16H28O7/c1-9(2)4-5-11(18)10(3)6-7-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,11-21H,5,7-8H2,1-3H3/b10-6+/t11?,12-,13-,14+,15-,16-/m1/s1
InChIKey
PBPYEEMQIFDGSQ-MIYBPCGNSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

63
Patents

332.1835 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 179.6
[M+Na]+ 355.17272 184.1
[M+NH4]+ 350.21732 181.4
[M+K]+ 371.14666 183.7
[M-H]- 331.17622 176.1
[M+Na-2H]- 353.15817 174.9
[M]+ 332.18295 178.4
[M]- 332.18405 178.4
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.