CID 13889681

Decaffeoyl-acteoside

Structural Information

Molecular Formula
C20H30O12
SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
InChI
InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3
InChIKey
DORPKYRPJIIARM-UHFFFAOYSA-N
Compound name
2-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1244
Patents

462.17374 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18102 206.0
[M+Na]+ 485.16296 211.9
[M+NH4]+ 480.20756 206.2
[M+K]+ 501.13690 213.3
[M-H]- 461.16646 206.8
[M+Na-2H]- 483.14841 201.7
[M]+ 462.17319 206.2
[M]- 462.17429 206.2
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

patents stripe