CID 44258300

Isoartocarpin

Structural Information

Molecular Formula
C26H26O6
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)OC)C
InChI
InChI=1S/C26H26O6/c1-13(2)6-8-16-18(30-5)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(27)7-9-17(19)26(23)32-21/h6-7,9-12,20,27-28H,8H2,1-5H3
InChIKey
CTAPCZWGIAZCKE-UHFFFAOYSA-N
Compound name
3,8-dihydroxy-10-methoxy-9-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

434.17294 Da
Monoisotopic Mass

6.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.