CID 329253

Diosbulbin e

Structural Information

Molecular Formula
C19H22O6
SMILES
CC12CC(OC(=O)C1CC(C3C2CC4CC3C(=O)O4)O)C5=COC=C5
InChI
InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-16,20H,4-7H2,1H3
InChIKey
OEIFXOHVCYVTGK-UHFFFAOYSA-N
Compound name
8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-6,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.14163 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 177.6
[M+Na]+ 369.13085 186.7
[M+NH4]+ 364.17545 186.9
[M+K]+ 385.10479 184.4
[M-H]- 345.13435 182.9
[M+Na-2H]- 367.11630 175.3
[M]+ 346.14108 180.3
[M]- 346.14218 180.3
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

patents stripe