CID 24813846

[(1r)-2-acetyloxy-2-methyl-1-[(9r)-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]propyl] acetate

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=O)O[C@H]([C@H]1COC2=C1C3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)C(C)(C)OC(=O)C
InChI
InChI=1S/C25H24O7/c1-14(26)30-24(25(3,4)32-15(2)27)18-13-29-20-11-10-17-19(28)12-21(31-23(17)22(18)20)16-8-6-5-7-9-16/h5-12,18,24H,13H2,1-4H3/t18-,24+/m0/s1
InChIKey
ZSZZBDOVOVYPPS-MHECFPHRSA-N
Compound name
[(1R)-2-acetyloxy-2-methyl-1-[(9R)-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1522 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 202.0
[M+Na]+ 459.14142 208.3
[M-H]- 435.14492 211.9
[M+NH4]+ 454.18602 212.1
[M+K]+ 475.11536 208.8
[M+H-H2O]+ 419.14946 194.9
[M+HCOO]- 481.15040 216.5
[M+CH3COO]- 495.16605 230.3
[M+Na-2H]- 457.12687 203.6
[M]+ 436.15165 209.8
[M]- 436.15275 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.