CID 10362969

Erycristagallin

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4CC=C(C)C)O)C
InChI
InChI=1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
InChIKey
VNTSSLCFFUCTNP-UHFFFAOYSA-N
Compound name
2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

242
Patents

390.1831 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 198.4
[M+Na]+ 413.17232 207.1
[M-H]- 389.17582 203.8
[M+NH4]+ 408.21692 211.5
[M+K]+ 429.14626 202.5
[M+H-H2O]+ 373.18036 192.1
[M+HCOO]- 435.18130 211.4
[M+CH3COO]- 449.19695 222.5
[M+Na-2H]- 411.15777 198.2
[M]+ 390.18255 203.6
[M]- 390.18365 203.6
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