CID 4484221

(r)-hispaglabridin a

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)O)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3
InChIKey
HZHXMXSXYQCAIG-UHFFFAOYSA-N
Compound name
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

392.19876 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 196.9
[M+Na]+ 415.18798 211.5
[M+NH4]+ 410.23258 206.0
[M+K]+ 431.16192 202.1
[M-H]- 391.19148 204.1
[M+Na-2H]- 413.17343 201.5
[M]+ 392.19821 201.4
[M]- 392.19931 201.4
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