CID 10097707

[3-acetoxy-5-[(8s)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-8-yl]phenyl] acetate

Structural Information

Molecular Formula
C29H30O8
SMILES
CC(=CCC1=C2C(=C(C3=C1O[C@@H](CC3=O)C4=CC(=CC(=C4)OC(=O)C)OC(=O)C)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C29H30O8/c1-15(2)7-8-22-27-21(9-10-29(5,6)37-27)26(33)25-23(32)14-24(36-28(22)25)18-11-19(34-16(3)30)13-20(12-18)35-17(4)31/h7,9-13,24,33H,8,14H2,1-6H3/t24-/m0/s1
InChIKey
BKWSDDMIZMNDII-DEOSSOPVSA-N
Compound name
[3-acetyloxy-5-[(8S)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-oxo-7,8-dihydropyrano[3,2-g]chromen-8-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.19406 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.20134 221.0
[M+Na]+ 529.18328 227.4
[M-H]- 505.18678 229.0
[M+NH4]+ 524.22788 228.2
[M+K]+ 545.15722 227.5
[M+H-H2O]+ 489.19132 211.9
[M+HCOO]- 551.19226 230.4
[M+CH3COO]- 565.20791 246.9
[M+Na-2H]- 527.16873 218.8
[M]+ 506.19351 227.9
[M]- 506.19461 227.9
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

No patent data available for this compound.