CID 101273171

3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4,6-trimethoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C24H30O10
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC
InChI
InChI=1S/C24H30O10/c1-30-15-10-17(31-2)20(18(11-15)32-3)16(26)9-6-13-4-7-14(8-5-13)33-24-23(29)22(28)21(27)19(12-25)34-24/h4-5,7-8,10-11,19,21-25,27-29H,6,9,12H2,1-3H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey
YUBDGXNXXJEYCV-PFKOEMKTSA-N
Compound name
3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4,6-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1839 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19118 210.4
[M+Na]+ 501.17312 214.0
[M-H]- 477.17662 215.4
[M+NH4]+ 496.21772 213.7
[M+K]+ 517.14706 214.1
[M+H-H2O]+ 461.18116 200.5
[M+HCOO]- 523.18210 221.9
[M+CH3COO]- 537.19775 233.0
[M+Na-2H]- 499.15857 206.3
[M]+ 478.18335 215.7
[M]- 478.18445 215.7
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.