CID 15954591

[(3s,4s)-3-acetoxy-2,2-dimethyl-3,4-dihydrobenzofuro[3,2-g]chromen-4-yl] acetate

Structural Information

Molecular Formula
C21H20O6
SMILES
CC(=O)O[C@@H]1[C@@H](C(OC2=C1C=C3C4=CC=CC=C4OC3=C2)(C)C)OC(=O)C
InChI
InChI=1S/C21H20O6/c1-11(22)24-19-15-9-14-13-7-5-6-8-16(13)26-17(14)10-18(15)27-21(3,4)20(19)25-12(2)23/h5-10,19-20H,1-4H3/t19-,20-/m0/s1
InChIKey
VDXYVGDEAHZGIG-PMACEKPBSA-N
Compound name
[(3S,4S)-3-acetyloxy-2,2-dimethyl-3,4-dihydro-[1]benzofuro[3,2-g]chromen-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 183.9
[M+Na]+ 391.11520 194.0
[M-H]- 367.11870 192.3
[M+NH4]+ 386.15980 200.8
[M+K]+ 407.08914 193.5
[M+H-H2O]+ 351.12324 177.5
[M+HCOO]- 413.12418 200.2
[M+CH3COO]- 427.13983 218.3
[M+Na-2H]- 389.10065 188.2
[M]+ 368.12543 192.8
[M]- 368.12653 192.8
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.