CID 5481968

Morusinol

Structural Information

Molecular Formula
C25H26O7
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)CCC(C)(C)O)C4=C(C=C(C=C4)O)O)O)C
InChI
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
InChIKey
AFOKZNPZDXHDHD-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

126
Patents

438.16785 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17513 207.1
[M+Na]+ 461.15707 216.5
[M-H]- 437.16057 212.9
[M+NH4]+ 456.20167 215.8
[M+K]+ 477.13101 214.6
[M+H-H2O]+ 421.16511 199.0
[M+HCOO]- 483.16605 216.9
[M+CH3COO]- 497.18170 227.6
[M+Na-2H]- 459.14252 211.4
[M]+ 438.16730 212.7
[M]- 438.16840 212.7
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