CID 157010105

2'-(4-hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside]

Structural Information

Molecular Formula
C33H42O17
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)OC(=O)CC(C)CO)C(=O)C)OC(=O)CC4=CC=C(C=C4)O)CO)O)O)O)O)O
InChI
InChI=1S/C33H42O17/c1-14(12-34)8-23(38)47-20-10-19(11-21(25(20)15(2)36)48-24(39)9-17-4-6-18(37)7-5-17)46-33-31(29(43)27(41)22(13-35)49-33)50-32-30(44)28(42)26(40)16(3)45-32/h4-7,10-11,14,16,22,26-35,37,40-44H,8-9,12-13H2,1-3H3
InChIKey
RODXFUFBAAPLPY-UHFFFAOYSA-N
Compound name
[2-acetyl-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-[2-(4-hydroxyphenyl)acetyl]oxyphenyl] 4-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

710.2422 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.24948 254.8
[M+Na]+ 733.23142 256.4
[M+NH4]+ 728.27602 255.8
[M+K]+ 749.20536 259.5
[M-H]- 709.23492 249.6
[M+Na-2H]- 731.21687 276.4
[M]+ 710.24165 254.1
[M]- 710.24275 254.1
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.