CID 5318057

(r)-hispaglabridin b

Structural Information

Molecular Formula
C25H26O4
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C5=C(C=C4)OC(C=C5)(C)C)OC3)C
InChI
InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3
InChIKey
CJUFYKORDZSOLF-UHFFFAOYSA-N
Compound name
6-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

390.1831 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 196.0
[M+Na]+ 413.17232 205.1
[M-H]- 389.17582 205.8
[M+NH4]+ 408.21692 209.7
[M+K]+ 429.14626 203.5
[M+H-H2O]+ 373.18036 185.3
[M+HCOO]- 435.18130 205.8
[M+CH3COO]- 449.19695 205.7
[M+Na-2H]- 411.15777 201.6
[M]+ 390.18255 197.7
[M]- 390.18365 197.7
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