CID 493365

4h-1-benzopyran-4-one, 7-(.alpha.-d-arabinofuranosyloxy)-5-hydroxy-2-phenyl-6-(phenylmethoxy)-

Structural Information

Molecular Formula
C27H24O9
SMILES
C1=CC=C(C=C1)COC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)O[C@@H]5[C@H]([C@@H]([C@H](O5)CO)O)O
InChI
InChI=1S/C27H24O9/c28-13-21-23(30)25(32)27(36-21)35-20-12-19-22(17(29)11-18(34-19)16-9-5-2-6-10-16)24(31)26(20)33-14-15-7-3-1-4-8-15/h1-12,21,23,25,27-28,30-32H,13-14H2/t21-,23-,25+,27+/m1/s1
InChIKey
WZMJWQGXTHGJDY-RESCMLIYSA-N
Compound name
7-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-phenyl-6-phenylmethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.14203 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.14931 213.0
[M+Na]+ 515.13125 219.2
[M-H]- 491.13475 223.9
[M+NH4]+ 510.17585 216.9
[M+K]+ 531.10519 217.8
[M+H-H2O]+ 475.13929 203.5
[M+HCOO]- 537.14023 226.3
[M+CH3COO]- 551.15588 220.8
[M+Na-2H]- 513.11670 212.1
[M]+ 492.14148 217.4
[M]- 492.14258 217.4
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.