CID 129906992

[(e)-3-[4-[2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-[[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]ethoxy]-3,5-dimethoxy-phenyl]allyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

Structural Information

Molecular Formula
C41H42O14
SMILES
COC1=CC(=CC(=C1OC(COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)C(C3=CC(=C(C=C3)O)OC)O)OC)/C=C/COC(=O)/C=C/C4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C41H42O14/c1-48-32-19-25(8-13-29(32)42)10-16-38(45)53-18-6-7-27-21-35(51-4)41(36(22-27)52-5)55-37(40(47)28-12-15-31(44)34(23-28)50-3)24-54-39(46)17-11-26-9-14-30(43)33(20-26)49-2/h6-17,19-23,37,40,42-44,47H,18,24H2,1-5H3/b7-6+,16-10+,17-11+
InChIKey
YBUJPYLIQOJSCL-XBMABRHUSA-N
Compound name
[(E)-3-[4-[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.25745 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.26473 273.8
[M+Na]+ 781.24667 271.6
[M-H]- 757.25017 279.7
[M+NH4]+ 776.29127 265.1
[M+K]+ 797.22061 273.7
[M+H-H2O]+ 741.25471 259.3
[M+HCOO]- 803.25565 283.2
[M+CH3COO]- 817.27130 283.1
[M+Na-2H]- 779.23212 283.1
[M]+ 758.25690 285.0
[M]- 758.25800 285.0
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.