CID 15559043

Diosbulbin b

Structural Information

Molecular Formula
C19H20O6
SMILES
CC12CC(OC13CC(C4C2CC5CC4C(=O)O5)OC3=O)C6=COC=C6
InChI
InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3
InChIKey
QEANLIISUSNNDX-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

33
Patents

344.12598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 168.9
[M+Na]+ 367.11520 177.2
[M-H]- 343.11870 179.2
[M+NH4]+ 362.15980 191.8
[M+K]+ 383.08914 176.7
[M+H-H2O]+ 327.12324 169.5
[M+HCOO]- 389.12418 179.1
[M+CH3COO]- 403.13983 180.9
[M+Na-2H]- 365.10065 169.3
[M]+ 344.12543 172.7
[M]- 344.12653 172.7
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.