CID 154699648

Ns00117397

Structural Information

Molecular Formula
C24H26O8
SMILES
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C24H26O8/c1-3-5-13-7-9-17(25)15(11-13)16-12-14(6-4-2)8-10-18(16)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h3-4,7-12,19-22,24-28H,1-2,5-6H2,(H,29,30)/t19-,20-,21+,22-,24?/m0/s1
InChIKey
HNZWDCABYFRGNV-VDPKEQMDSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.16278 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17006 206.0
[M+Na]+ 465.15200 216.3
[M+NH4]+ 460.19660 208.4
[M+K]+ 481.12594 212.8
[M-H]- 441.15550 208.4
[M+Na-2H]- 463.13745 207.0
[M]+ 442.16223 207.7
[M]- 442.16333 207.7
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.