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 177.5
[M+Na]+ 385.12579 183.9
[M-H]- 361.12929 185.1
[M+NH4]+ 380.17039 196.8
[M+K]+ 401.09973 183.3
[M+H-H2O]+ 345.13383 176.5
[M+HCOO]- 407.13477 186.0
[M+CH3COO]- 421.15042 187.8
[M+Na-2H]- 383.11124 177.6
[M]+ 362.13602 178.5
[M]- 362.13712 178.5
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