CID 10434009

Derriflavanone

Structural Information

Molecular Formula
C26H28O7
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)[C@H]4C(C(O4)(C)C)OC)OC(CC3=O)C5=CC=C(C=C5)O)O)C
InChI
InChI=1S/C26H28O7/c1-25(2)11-10-15-20(29)18-16(28)12-17(13-6-8-14(27)9-7-13)31-22(18)19(21(15)32-25)23-24(30-5)26(3,4)33-23/h6-11,17,23-24,27,29H,12H2,1-5H3/t17?,23-,24?/m0/s1
InChIKey
YNPMOVGGQKFPCZ-JXKJCSFESA-N
Compound name
5-hydroxy-8-(4-hydroxyphenyl)-10-[(2S)-3-methoxy-4,4-dimethyloxetan-2-yl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1835 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19078 205.6
[M+Na]+ 475.17272 213.1
[M-H]- 451.17622 216.4
[M+NH4]+ 470.21732 209.2
[M+K]+ 491.14666 216.9
[M+H-H2O]+ 435.18076 191.8
[M+HCOO]- 497.18170 214.1
[M+CH3COO]- 511.19735 236.3
[M+Na-2H]- 473.15817 207.5
[M]+ 452.18295 219.2
[M]- 452.18405 219.2
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.