CID 362562

Erybraedin a

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C
InChI
InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChIKey
HOGHBEDTLGAJAS-UHFFFAOYSA-N
Compound name
4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

201
Patents

392.19876 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 197.2
[M+Na]+ 415.18798 209.3
[M+NH4]+ 410.23258 204.3
[M+K]+ 431.16192 204.5
[M-H]- 391.19148 201.5
[M+Na-2H]- 413.17343 196.1
[M]+ 392.19821 200.1
[M]- 392.19931 200.1
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