CID 44257315

2'-methoxylupalbigenin

Structural Information

Molecular Formula
C26H28O6
SMILES
CC(=CCC1=C(C=CC(=C1OC)C2=COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C
InChI
InChI=1S/C26H28O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-13,27-29H,8-9H2,1-5H3
InChIKey
QAVJDDXEMMJOSR-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1886 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19588 207.0
[M+Na]+ 459.17782 215.0
[M-H]- 435.18132 212.1
[M+NH4]+ 454.22242 214.9
[M+K]+ 475.15176 210.7
[M+H-H2O]+ 419.18586 198.6
[M+HCOO]- 481.18680 220.8
[M+CH3COO]- 495.20245 230.3
[M+Na-2H]- 457.16327 203.5
[M]+ 436.18805 212.4
[M]- 436.18915 212.4
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

No patent data available for this compound.