CID 44257286

Flemiphyllin

Structural Information

Molecular Formula
C30H34O5
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C
InChI
InChI=1S/C30H34O5/c1-17(2)7-10-20-13-22(14-21(28(20)33)11-8-18(3)4)24-16-35-30-23(12-9-19(5)6)25(31)15-26(32)27(30)29(24)34/h7-9,13-16,31-33H,10-12H2,1-6H3
InChIKey
FKQMIMOLIFCHFV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.24063 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.24791 220.1
[M+Na]+ 497.22985 226.6
[M-H]- 473.23335 224.5
[M+NH4]+ 492.27445 226.4
[M+K]+ 513.20379 220.8
[M+H-H2O]+ 457.23789 211.6
[M+HCOO]- 519.23883 231.5
[M+CH3COO]- 533.25448 239.4
[M+Na-2H]- 495.21530 213.3
[M]+ 474.24008 224.0
[M]- 474.24118 224.0
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.