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

19
Patents

362.13657 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.143846 177.5
[M+Na]+ 385.125788 183.9
[M-H]- 361.129294 185.1
[M+NH4]+ 380.170393 196.8
[M+K]+ 401.099728 183.3
[M+H-H2O]+ 345.133830 176.5
[M+HCOO]- 407.134771 186.0
[M+CH3COO]- 421.150421 187.8
[M+Na-2H]- 383.111236 177.6
[M]+ 362.13602142 178.5
[M]- 362.13711858 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