CID 5086400

Erythrabyssin ii

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C3C=CC(=C4CC=C(C)C)O)C
InChI
InChI=1S/C25H28O4/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/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChIKey
LDKAMVCGTURXMH-UHFFFAOYSA-N
Compound name
2,10-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
1
Annotation Hits

0
References

0
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

No patent data available for this compound.