CID 15138441

Euchretin b

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)OC4=C(C(=C(C=C34)O)O)CC=C(C)C)C
InChI
InChI=1S/C25H24O7/c1-11(2)5-7-13-16(26)10-17(27)20-22(30)19-15-9-18(28)21(29)14(8-6-12(3)4)23(15)31-25(19)32-24(13)20/h5-6,9-10,26-29H,7-8H2,1-4H3
InChIKey
JXRCOUGAFJVKOJ-UHFFFAOYSA-N
Compound name
1,3,8,9-tetrahydroxy-4,7-bis(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1522 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 206.4
[M+Na]+ 459.14142 217.7
[M-H]- 435.14492 211.1
[M+NH4]+ 454.18602 216.6
[M+K]+ 475.11536 214.1
[M+H-H2O]+ 419.14946 200.4
[M+HCOO]- 481.15040 219.4
[M+CH3COO]- 495.16605 228.9
[M+Na-2H]- 457.12687 205.7
[M]+ 436.15165 215.8
[M]- 436.15275 215.8
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.