CID 102075979

[(2r,3s,4s,5r,6s)-6-[(2s,3r,4s,5s,6r)-2-[6,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Structural Information

Molecular Formula
C32H38O17
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC3=C4C(=CC(=C3OC)OC)OC(=CC4=O)C5=CC=C(C=C5)OC)CO)O)O)O)O
InChI
InChI=1S/C32H38O17/c1-13(34)44-12-21-23(36)25(38)26(39)31(47-21)49-30-24(37)20(11-33)46-32(27(30)40)48-29-22-16(35)9-17(14-5-7-15(41-2)8-6-14)45-18(22)10-19(42-3)28(29)43-4/h5-10,20-21,23-27,30-33,36-40H,11-12H2,1-4H3/t20-,21-,23-,24+,25+,26-,27-,30+,31+,32+/m1/s1
InChIKey
OOUMKYOWYQVWCT-BEYJLTEXSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[6,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.2109 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.21818 256.4
[M+Na]+ 717.20012 259.6
[M-H]- 693.20362 253.4
[M+NH4]+ 712.24472 257.7
[M+K]+ 733.17406 252.8
[M+H-H2O]+ 677.20816 248.5
[M+HCOO]- 739.20910 259.3
[M+CH3COO]- 753.22475 262.8
[M+Na-2H]- 715.18557 279.4
[M]+ 694.21035 266.9
[M]- 694.21145 266.9
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.