CID 5317707

Dtxsid50415726

Structural Information

Molecular Formula
C22H28O10
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
InChI
InChI=1S/C22H28O10/c1-9-5-11(24)16-13(29-9)7-12-10(20(16)28-4)6-15(30-12)22(2,3)32-21-19(27)18(26)17(25)14(8-23)31-21/h5,7,14-15,17-19,21,23,25-27H,6,8H2,1-4H3/t14-,15?,17-,18+,19-,21+/m1/s1
InChIKey
QVGFPTYGKPLXPK-NUTNSJPXSA-N
Compound name
4-methoxy-7-methyl-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.16824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.17552 203.5
[M+Na]+ 475.15746 210.0
[M-H]- 451.16096 209.3
[M+NH4]+ 470.20206 210.0
[M+K]+ 491.13140 211.6
[M+H-H2O]+ 435.16550 198.1
[M+HCOO]- 497.16644 210.4
[M+CH3COO]- 511.18209 229.9
[M+Na-2H]- 473.14291 204.4
[M]+ 452.16769 209.9
[M]- 452.16879 209.9
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.