CID 14757896

(2s,3r,4s,5s,6r)-2-[[(2r,3s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C24H30O12
SMILES
COC1=CC2=C(C[C@@H]([C@H](O2)C3=CC(=C(C(=C3)OC)O)OC)O)C(=C1)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C24H30O12/c1-31-11-6-14-12(15(7-11)35-24-22(30)21(29)20(28)18(9-25)36-24)8-13(26)23(34-14)10-4-16(32-2)19(27)17(5-10)33-3/h4-7,13,18,20-30H,8-9H2,1-3H3/t13-,18+,20+,21-,22+,23+,24+/m0/s1
InChIKey
IBKHAIJVZGYPDV-MTGIANMYSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.17374 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.18102 217.9
[M+Na]+ 533.16296 221.7
[M-H]- 509.16646 222.3
[M+NH4]+ 528.20756 218.5
[M+K]+ 549.13690 223.9
[M+H-H2O]+ 493.17100 208.0
[M+HCOO]- 555.17194 222.8
[M+CH3COO]- 569.18759 239.1
[M+Na-2H]- 531.14841 214.7
[M]+ 510.17319 222.2
[M]- 510.17429 222.2
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.