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

43
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 175.3
[M+Na]+ 369.13085 181.7
[M-H]- 345.13435 183.7
[M+NH4]+ 364.17545 192.5
[M+K]+ 385.10479 180.7
[M+H-H2O]+ 329.13889 171.4
[M+HCOO]- 391.13983 183.9
[M+CH3COO]- 405.15548 185.6
[M+Na-2H]- 367.11630 175.7
[M]+ 346.14108 174.5
[M]- 346.14218 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