CID 14427373

Dihydrostemonal

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=CC(=C2C(=C1)OC3C(C2=O)C4=CC(=C(C=C4OC3O)OC)OC)O
InChI
InChI=1S/C19H18O8/c1-23-8-4-10(20)16-14(5-8)26-18-15(17(16)21)9-6-12(24-2)13(25-3)7-11(9)27-19(18)22/h4-7,15,18-20,22H,1-3H3
InChIKey
LTXHCBITZGNQCV-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10016 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 181.8
[M+Na]+ 397.08938 191.1
[M-H]- 373.09288 187.5
[M+NH4]+ 392.13398 193.4
[M+K]+ 413.06332 191.3
[M+H-H2O]+ 357.09742 173.8
[M+HCOO]- 419.09836 194.0
[M+CH3COO]- 433.11401 218.8
[M+Na-2H]- 395.07483 186.8
[M]+ 374.09961 188.8
[M]- 374.10071 188.8
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.