CID 10457684

(2s)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C24H28O10
SMILES
CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@@H](CC2=O)C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C24H28O10/c1-10-18(27)17-14(26)8-15(12-4-6-13(31-3)7-5-12)32-23(17)11(2)22(10)34-24-21(30)20(29)19(28)16(9-25)33-24/h4-7,15-16,19-21,24-25,27-30H,8-9H2,1-3H3/t15-,16+,19+,20-,21+,24-/m0/s1
InChIKey
HPXOUFFMSLZOLE-WUQIJIJDSA-N
Compound name
(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.16824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.17552 213.4
[M+Na]+ 499.15746 218.9
[M-H]- 475.16096 219.3
[M+NH4]+ 494.20206 216.4
[M+K]+ 515.13140 219.1
[M+H-H2O]+ 459.16550 204.0
[M+HCOO]- 521.16644 219.9
[M+CH3COO]- 535.18209 235.0
[M+Na-2H]- 497.14291 209.8
[M]+ 476.16769 215.8
[M]- 476.16879 215.8
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.