CID 44258302

Cycloartocarpin a

Structural Information

Molecular Formula
C26H26O6
SMILES
CC(C)/C=C/C1=C(C2=C(C=C1O)OC3=C(C2=O)C(OC4=C3C=CC(=C4)OC)C=C(C)C)O
InChI
InChI=1S/C26H26O6/c1-13(2)6-8-16-18(27)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(30-5)7-9-17(19)26(23)32-21/h6-13,20,27-28H,1-5H3/b8-6+
InChIKey
FUOITKFXHPXSCA-SOFGYWHQSA-N
Compound name
8,10-dihydroxy-3-methoxy-9-[(E)-3-methylbut-1-enyl]-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1
Patents

434.17294 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18022 206.7
[M+Na]+ 457.16216 215.3
[M-H]- 433.16566 211.9
[M+NH4]+ 452.20676 215.9
[M+K]+ 473.13610 212.4
[M+H-H2O]+ 417.17020 198.2
[M+HCOO]- 479.17114 217.2
[M+CH3COO]- 493.18679 233.3
[M+Na-2H]- 455.14761 206.8
[M]+ 434.17239 212.9
[M]- 434.17349 212.9
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

patents stripe