CID 329252

Diosbulbin g

Structural Information

Molecular Formula
C19H22O6
SMILES
CC12CC(OC(=O)C1CC3C4C2CC(CC4C(=O)O3)O)C5=COC=C5
InChI
InChI=1S/C19H22O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14-16-11(17(21)24-14)4-10(20)5-12(16)19/h2-3,8,10-16,20H,4-7H2,1H3
InChIKey
GFUMUSWDMNZQDZ-UHFFFAOYSA-N
Compound name
4-(furan-3-yl)-14-hydroxy-2-methyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

346.14163 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.148906 175.3
[M+Na]+ 369.130848 181.7
[M-H]- 345.134354 183.7
[M+NH4]+ 364.175453 192.5
[M+K]+ 385.104788 180.7
[M+H-H2O]+ 329.138890 171.4
[M+HCOO]- 391.139831 183.9
[M+CH3COO]- 405.155481 185.6
[M+Na-2H]- 367.116296 175.7
[M]+ 346.14108142 174.5
[M]- 346.14217858 174.5
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

patents stripe