CID 15559045

Diosbulbin c

Structural Information

Molecular Formula
C19H22O7
SMILES
CC12CC(OC13CC(C4C2CC(CC4C(=O)O)O)OC3=O)C5=COC=C5
InChI
InChI=1S/C19H22O7/c1-18-6-13(9-2-3-24-8-9)26-19(18)7-14(25-17(19)23)15-11(16(21)22)4-10(20)5-12(15)18/h2-3,8,10-15,20H,4-7H2,1H3,(H,21,22)
InChIKey
UYALWPKCIMKALF-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

362.13657 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14385 177.4
[M+Na]+ 385.12579 183.8
[M+NH4]+ 380.17039 186.7
[M+K]+ 401.09973 183.7
[M-H]- 361.12929 181.0
[M+Na-2H]- 383.11124 175.6
[M]+ 362.13602 179.2
[M]- 362.13712 179.2
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