CID 131752535

(r)-byakangelicin 2'-glucoside

Structural Information

Molecular Formula
C23H28O12
SMILES
CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C23H28O12/c1-23(2,29)13(34-22-17(28)16(27)15(26)12(8-24)33-22)9-32-21-19-11(6-7-31-19)18(30-3)10-4-5-14(25)35-20(10)21/h4-7,12-13,15-17,22,24,26-29H,8-9H2,1-3H3
InChIKey
STMLLOJFOZJAEK-UHFFFAOYSA-N
Compound name
9-[3-hydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.15808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.16536 210.3
[M+Na]+ 519.14730 218.7
[M+NH4]+ 514.19190 211.7
[M+K]+ 535.12124 221.4
[M-H]- 495.15080 212.2
[M+Na-2H]- 517.13275 207.0
[M]+ 496.15753 211.6
[M]- 496.15863 211.6
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.