CID 10669800

Australone a

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCCC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=C(C=C(C=C4)O)O)C)C
InChI
InChI=1S/C25H24O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-13,26-27,29H,4,9H2,1-3H3
InChIKey
YLMPUSYATCNAJD-UHFFFAOYSA-N
Compound name
8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)pyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
Patents

420.1573 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 202.6
[M+Na]+ 443.14652 211.8
[M-H]- 419.15002 209.3
[M+NH4]+ 438.19112 212.5
[M+K]+ 459.12046 208.7
[M+H-H2O]+ 403.15456 193.8
[M+HCOO]- 465.15550 214.7
[M+CH3COO]- 479.17115 224.9
[M+Na-2H]- 441.13197 205.2
[M]+ 420.15675 207.0
[M]- 420.15785 207.0
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