CID 54699185

Lonchocarpenin

Structural Information

Molecular Formula
C27H28O6
SMILES
CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)OC)O)C
InChI
InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3
InChIKey
CCYKXDPVYWRNMH-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

448.1886 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.19588 210.8
[M+Na]+ 471.17782 220.7
[M-H]- 447.18132 220.1
[M+NH4]+ 466.22242 221.1
[M+K]+ 487.15176 218.9
[M+H-H2O]+ 431.18586 201.1
[M+HCOO]- 493.18680 225.1
[M+CH3COO]- 507.20245 236.0
[M+Na-2H]- 469.16327 212.4
[M]+ 448.18805 219.5
[M]- 448.18915 219.5
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