CID 14427375

6-acetyldihydrostemonal

Structural Information

Molecular Formula
C21H20O9
SMILES
CC(=O)OC1C2C(C3=CC(=C(C=C3O1)OC)OC)C(=O)C4=C(C=C(C=C4O2)OC)O
InChI
InChI=1S/C21H20O9/c1-9(22)28-21-20-17(11-7-14(26-3)15(27-4)8-13(11)30-21)19(24)18-12(23)5-10(25-2)6-16(18)29-20/h5-8,17,20-21,23H,1-4H3
InChIKey
ZJUMLMKXRQIPRS-UHFFFAOYSA-N
Compound name
(11-hydroxy-2,3,9-trimethoxy-12-oxo-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11072 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.117996 191.5
[M+Na]+ 439.099938 199.9
[M-H]- 415.103444 198.1
[M+NH4]+ 434.144543 201.7
[M+K]+ 455.073878 201.4
[M+H-H2O]+ 399.107980 182.9
[M+HCOO]- 461.108921 203.7
[M+CH3COO]- 475.124571 228.9
[M+Na-2H]- 437.085386 195.1
[M]+ 416.11017142 200.8
[M]- 416.11126858 200.8
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.