CID 131752945

150164-07-1

Structural Information

Molecular Formula
C34H42O19
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)OC)O)O)O)O)O)O
InChI
InChI=1S/C34H42O19/c1-11-20(36)24(40)27(43)32(48-11)47-10-18-22(38)26(42)29(45)34(52-18)53-31-23(39)19-16(35)8-15(50-33-28(44)25(41)21(37)12(2)49-33)9-17(19)51-30(31)13-4-6-14(46-3)7-5-13/h4-9,11-12,18,20-22,24-29,32-38,40-45H,10H2,1-3H3
InChIKey
SUZMJMMFSPJQFB-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

754.23206 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.23934 261.3
[M+Na]+ 777.22128 261.5
[M+NH4]+ 772.26588 261.4
[M+K]+ 793.19522 268.6
[M-H]- 753.22478 255.5
[M+Na-2H]- 775.20673 282.9
[M]+ 754.23151 259.8
[M]- 754.23261 259.8
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.