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]+ 477.175516 213.4
[M+Na]+ 499.157458 218.9
[M-H]- 475.160964 219.3
[M+NH4]+ 494.202063 216.4
[M+K]+ 515.131398 219.1
[M+H-H2O]+ 459.165500 204.0
[M+HCOO]- 521.166441 219.9
[M+CH3COO]- 535.182091 235.0
[M+Na-2H]- 497.142906 209.8
[M]+ 476.16769142 215.8
[M]- 476.16878858 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.