CID 154699576

Ns00117333

Structural Information

Molecular Formula
C24H28O11
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C24H28O11/c1-30-14-8-7-12(5-6-13-10-16(31-2)21(33-4)17(11-13)32-3)9-15(14)34-24-20(27)18(25)19(26)22(35-24)23(28)29/h5-11,18-20,22,24-27H,1-4H3,(H,28,29)/b6-5-/t18-,19-,20+,22-,24?/m0/s1
InChIKey
DVUNNRSRNSOECT-NDFGWKAYSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.16315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.17043 214.1
[M+Na]+ 515.15237 223.7
[M+NH4]+ 510.19697 215.3
[M+K]+ 531.12631 221.9
[M-H]- 491.15587 215.8
[M+Na-2H]- 513.13782 214.4
[M]+ 492.16260 215.4
[M]- 492.16370 215.4
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.