CID 10960780

7-o-methylisolupalbigenin

Structural Information

Molecular Formula
C26H28O5
SMILES
CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC)O)O)C
InChI
InChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3
InChIKey
XOEJOZMFBLQRCB-UHFFFAOYSA-N
Compound name
5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

420.19366 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20094 203.9
[M+Na]+ 443.18288 211.8
[M-H]- 419.18638 210.0
[M+NH4]+ 438.22748 213.1
[M+K]+ 459.15682 207.3
[M+H-H2O]+ 403.19092 195.4
[M+HCOO]- 465.19186 219.2
[M+CH3COO]- 479.20751 228.6
[M+Na-2H]- 441.16833 201.4
[M]+ 420.19311 209.2
[M]- 420.19421 209.2
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