CID 3012524

Lakoochin a

Structural Information

Molecular Formula
C26H30O4
SMILES
CC(=CCC1=C(C(=C(C=C1OC)OC)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C
InChI
InChI=1S/C26H30O4/c1-16(2)7-11-20-23(28-5)15-24(29-6)21(12-8-17(3)4)26(20)25-13-18-9-10-19(27)14-22(18)30-25/h7-10,13-15,27H,11-12H2,1-6H3
InChIKey
CHDJBHWCUVZCGP-UHFFFAOYSA-N
Compound name
2-[3,5-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

406.21442 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 203.2
[M+Na]+ 429.20364 211.5
[M-H]- 405.20714 210.9
[M+NH4]+ 424.24824 215.7
[M+K]+ 445.17758 207.0
[M+H-H2O]+ 389.21168 195.7
[M+HCOO]- 451.21262 222.0
[M+CH3COO]- 465.22827 227.0
[M+Na-2H]- 427.18909 200.0
[M]+ 406.21387 211.4
[M]- 406.21497 211.4
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