CID 11712121

[(9r,10r)-9-acetoxy-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate

Structural Information

Molecular Formula
C25H24O8
SMILES
CC(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C(=O)C(=C(O3)C4=CC=CC=C4)OC)(C)C)OC(=O)C
InChI
InChI=1S/C25H24O8/c1-13(26)30-22-18-17(33-25(3,4)24(22)31-14(2)27)12-11-16-19(28)23(29-5)20(32-21(16)18)15-9-7-6-8-10-15/h6-12,22,24H,1-5H3/t22-,24-/m1/s1
InChIKey
DAEKLSRTBVWKGC-ISKFKSNPSA-N
Compound name
[(9R,10R)-9-acetyloxy-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.14713 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.15441 204.7
[M+Na]+ 475.13635 213.5
[M-H]- 451.13985 214.9
[M+NH4]+ 470.18095 214.8
[M+K]+ 491.11029 214.6
[M+H-H2O]+ 435.14439 195.0
[M+HCOO]- 497.14533 219.3
[M+CH3COO]- 511.16098 235.8
[M+Na-2H]- 473.12180 207.2
[M]+ 452.14658 214.3
[M]- 452.14768 214.3
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.