CID 12019201

3',4'-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone

Structural Information

Molecular Formula
C26H28O7
SMILES
CC(=CCC1=C(C2=C(C3=C1OC(CC3=O)C4=CC(=C(C=C4)O)O)OC(=C2)C(C)(C)O)OC)C
InChI
InChI=1S/C26H28O7/c1-13(2)6-8-15-23(31-5)16-11-21(26(3,4)30)33-25(16)22-19(29)12-20(32-24(15)22)14-7-9-17(27)18(28)10-14/h6-7,9-11,20,27-28,30H,8,12H2,1-5H3
InChIKey
GNUVMQAGBJMMEC-UHFFFAOYSA-N
Compound name
7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1835 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19078 210.2
[M+Na]+ 475.17272 218.2
[M-H]- 451.17622 217.1
[M+NH4]+ 470.21732 218.8
[M+K]+ 491.14666 216.2
[M+H-H2O]+ 435.18076 203.8
[M+HCOO]- 497.18170 221.3
[M+CH3COO]- 511.19735 232.1
[M+Na-2H]- 473.15817 209.6
[M]+ 452.18295 216.8
[M]- 452.18405 216.8
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.