CID 71588337

(-)-5,4'-dihydroxy-7,8-[(cis-3''-hydroxy-4''-ethoxy-3'',4''-dihydro)-2'',2''-dimethylpyrano]-flavone

Structural Information

Molecular Formula
C22H22O7
SMILES
CCOC1C(C(OC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=C(C=C4)O)(C)C)O
InChI
InChI=1S/C22H22O7/c1-4-27-20-18-16(29-22(2,3)21(20)26)10-14(25)17-13(24)9-15(28-19(17)18)11-5-7-12(23)8-6-11/h5-10,20-21,23,25-26H,4H2,1-3H3
InChIKey
YOCMSKMOHSWBNX-UHFFFAOYSA-N
Compound name
10-ethoxy-5,9-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.13657 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.143846 193.5
[M+Na]+ 421.125788 203.6
[M-H]- 397.129294 200.6
[M+NH4]+ 416.170393 204.5
[M+K]+ 437.099728 202.1
[M+H-H2O]+ 381.133830 185.0
[M+HCOO]- 443.134771 206.1
[M+CH3COO]- 457.150421 220.6
[M+Na-2H]- 419.111236 197.5
[M]+ 398.13602142 198.9
[M]- 398.13711858 198.9
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.